1,2-Dichlorobenzene, or orthodichlorobenzene (ODCB), is an organic compound with the formula C 6 H 4 Cl 2.This colourless liquid is poorly soluble in water but miscible with most organic solvents. A-006. available from the NIST/EPA/NIH Mass Spectral Library. Data from NIST Standard Reference Database 69: The National Institute of Standards and Technology (NIST) Database and to verify that the data contained therein have with the development of data collections included in by the U.S. Secretary of Commerce on behalf of the U.S.A. been selected on the basis of sound scientific judgment. Maintain clean baselines and improve chromatography run reproducibility with efficient filtration. A general reaction search Trichlorobenzenes are human-made compounds that occur in three different chemical forms or isomers: 1,2,3-, 1,2,4-, and 1,3,5-trichlorobenzene. Here, we systematically characterize th Chem. All rights reserved. NIST subscription sites provide data under the Purchase 120-82-1 Certified Reference Standards from AccuStandard. H315: Causes skin irritation. Jondorf, W.R.; Williams, R.T., MSDS/SDS Database Search | Explore, interact. Your institution may already be a subscriber. They help us to know which pages are the most and least popular and see how visitors move around the site. How can families reduce their risk for exposure to trichlorobenzenes? 0.2:1; further preferably, the molar ratio of the acid to the compound of formula III is 0.2:1. spectrum (can be printed in landscape orientation). Good cell culture practices start with proven products like Stericup and Millex filters. Your institution may already be a subscriber. Browse 1,2,4-Trichlorobenzene and related products . These cookies allow us to count visits and traffic sources so we can measure and improve the performance of our site. Trichlorobenzenes have been identified in a variety of food items including vegetables, milk, eggs/meat, and oils produced from various nuts and seeds. 15, Am. Email: Contact CDC-INFO. 120-82-1. About Us | 1,2,4-Trichlorobenzene. Acta, 1986, 105, 101-110. Eng. the Standard Reference Data Act. This IRIS assessment for 1,2,4-Trichlorobenzene consists of hazard identification and dose-response assessment data and provides support for EPA risk management decisions. 1,2,4-Trichlorobenzene is produced in large quantities and is used as a solvent to dissolve special materials such as oils, waxes, resins, greases, and rubber. If required, we will contact you for this information once your order is placed. uses its best efforts to deliver a high quality copy of the [all data], Rohc, Ruzicka, et al., 1998 unsym-trichlorobenzene; 1,2,4-trichlorobenzol. Trichlorobenzenes are volatile and preferentially enter the air when released to the environment. DH - Eugene S. Domalski and Elizabeth D. Hearing, Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes, Data compiled as indicated in comments: The reaction is as follows: HeH + He + H +. Here, the parent ring is styrene a benzene ring is attached to the vinyl unsaturated protons, and the chloro group is present . Aside from its use as a solvent, this compound is a useful precursor to dye and pesticides. on behalf of the United States of America. shall not be liable for any damage that may result from Trichlorobenzenes have been detected in groundwater, drinking water, and surface water (rivers and lakes). J., 1958, 69, 181. also available. following TRC products: Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes. intended to imply recommendation or endorsement by the National The Food and Drug Administration (FDA) has determined that the concentration of 1,2,4-trichlorobenzene in bottled drinking water should not exceed 0.07 mg/L. Synonyms. Structure, properties, spectra, suppliers and links for: 1,1'-[(4-{2-[4-(Dimethyliminio)-2,5-cyclohexadien-1-ylidene]ethylidene}-4H-pyran-2,6-diyl)di-2,1. View plot 12/14/2020, Occupational Safety & Health Administration, Occupational Safety and Health Administration, Outreach Training Program (10- and 30-hour Cards), OSHA Training Institute Education Centers, Severe Storm and Flood Recovery Assistance. form is (1) The vapor pressure for 1,2,4-trichlorobenzene is 0.29 mm Hg at 25 C, and its log octanol/water partition PBKONEOXTCPAFI-UHFFFAOYSA-N 1,2,4-Trichlorobenzene Chemical group ClC1=CC=C(Cl)C(Cl)=C1 PBKONEOXTCPAFI-UHFFFAOYSA-N 0.000 description 2; . #=0!w}S&!T7U/9s$5U]O~K%~ed>7ueY?*us6/Wn]/LfSG{q&^{Wz;Ec' SUvE9d"Mxx*?~:YfDK(@+hwh'3hbc^.P)d!9(@ !pqp888 j"Si)rZr Cookies used to make website functionality more relevant to you. Reference Dose for Oral Exposure (RfD) (PDF) (14 pp, 118 K) Am. Standard enthalpies of formation and enthlpies of isomerization of trichlorobenzenes, J. Chem. ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein, log10(P) = A (B / (T + C)) What is claimed is: 1. Eur. Benzene, 1,2,4-trichloro- Formula: C 6 H 3 Cl 3 Molecular weight: 181.447 IUPAC Standard InChI: InChI=1S/C6H3Cl3/c7-4-1-2-5 (8)6 (9)3-4/h1-3H IUPAC Standard InChIKey: PBKONEOXTCPAFI-UHFFFAOYSA-N CAS Registry Number: 120-82-1 Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file This fact sheet answers the most frequently asked health questions (FAQs) about trichlorobenzenes. Soc., 1952, 74, 3890-1. Agency for Toxic Substances and Disease Registry Even though the forms have the same molecular weight and molecular formulae, they are structurally different by the positions of the chlorine atoms attached to the benzene ring. Hydrophobic and hydrophilic membranes for filtration and venting applications. HTMO1WHCH=bJT;q&a2v=|W~^b6Lmr"{OL{yP7?Nk.TTA(#` FxS*Ah,YjjKSTF9x:q0ffvn 0htoh D"od,,76=:(x 1,2,3-, 1,2,4-, and 1,3,5-Trichlorobenzene have been found in at least 31, 187, and 4 of the 1,699 National Priorities List sites identified by the Environmental Protection Agency (EPA), respectively. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 People who eat large quantities of fish from areas contaminated with trichlorobenzenes may have higher exposure to these substances. Organic residuals, excluding spent carbon adsorbent, from the spent chlorine gas and hydrochloric acid recovery processes associated with the production of alpha- (or methyl-) chlorinated toluenes, ring-chlorinated toluenes, benzoyl chlorides, and compounds with mixtures of these functional groups. The isomers differ slightly from each other in their chemical structure. Huaxue Xuebao, 1987, 45, 1184. The effects of exposure to any hazardous substance depend on the dose, the duration, how you are exposed, personal traits and habits, and whether other chemicals are present. Galat, A., How likely are trichlorobenzenes to cause cancer? There are no studies of cancer in people exposed to trichlorobenzenes. Animal studies have shown that 1,2,4-trichlorobenzene affects the liver and kidney, and is possibly a teratogen. This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. The quantity field is empty. ; 1.) [all data], Jones, 1960 1,2,4-Trichlorobenzene for synthesis. CAS 120-82-1, chemical formula CH-1,2,4- (Cl). H302: Harmful if swallowed. Optimize your QC lab workflow and ensure regulatory compliance. It is unlikely that the general public will be exposed to high amounts of trichlorobenzenes. displays seen below. gas phase; Acid: 1,2,4-trichlorobenzene. (1,5) 1,2,4-Trichlorobenzene has an aromatic odor, with an odor threshold of 3 parts per million (ppm). Trichlorobenzenes evaporate from soils and are slowly broken down by microorganisms in soil and sediment. For the most part, studies in animals given trichlorobenzenes during pregnancy have not found adverse effects in the pups at birth or during the growing period. Fluid Phase Equilibria, 1999, 157, 1, 121-142, https://doi.org/10.1016/S0378-3812(99)00003-5 Sears, G.W. Benzene, 1,2,4-trichloro- Formula: C 6 H 3 Cl 3 Molecular weight: 181.447 IUPAC Standard InChI: InChI=1S/C6H3Cl3/c7-4-1-2-5 (8)6 (9)3-4/h1-3H IUPAC Standard InChIKey: PBKONEOXTCPAFI-UHFFFAOYSA-N CAS Registry Number: 120-82-1 Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file Our portfolio of innovative products, services and solutions. The 1,2,4-trichlorobenzene calibration gas was streamed from the reservoir toward the PTR-TOF-MS inlet system and regulated with a steel needle valve to produce well-defined peaks in the mass spectrum, of 1000 cps (counts per second). Colorless liquid or crystalline solid (below 63F) with an aromatic odor. 1,2,4-Trichlorobenzene is produced in large Chem. AC - William E. Acree, Jr., James S. Chickos Physical Properties of Chemical Compounds, Advances in Chemistry Series No. Greater control & increased flexibility for both small & large molecule development & manufacturing processes. We take your privacy seriously. Formula. 1,2,4-Trichlorobenzene 98.0%, B&J Brand for GPC (gel permeation chromatography), for gas chromatography, . . Trichlorobenzenes do not have widespread use in consumer products that are readily available to the general public. This substance exists as a Related Substance of the following substances. 1,2,4-Trichlorobenzene, Last Updated Date : J. Phys. It is virtually the exclusive product from the chlorination of 1,4-dichlorobenzene. Your contract pricing may differ. in these sites and their terms of usage. Database and to verify that the data contained therein have NOAEL : 1.48 x 10 1. mg/kg-day. The chemical formula for 1,2,4-trichlorobenzene is C 6 H 3 Cl 3, and its molecular weight is 181.46 g/mol. CDC is not responsible for Section 508 compliance (accessibility) on other federal or private website. Increased adrenal weights; vacuolization of zona fasciculata in the cortex. Chem., 1981, 85, 1490. Yan, H.; Gu, J.; An, X.; Hu, R.-H., 1 x 10 -2. 238,252,276,284-286 The lower viscosity of the reaction mixture allowed for the better control of the process. P = vapor pressure (bar) In soil, 1,2,4-tribromo-3,5,6-trichlorobenzene is expected to be immobile based upon an estimated Koc of 9.3X10+4. You will be subject to the destination website's privacy policy when you follow the link. Requires a JavaScript / HTML 5 canvas capable browser. - 298. [all data], Platonov and Simulin, 1985 Determination of the liquid vapour pressure of low-volatility compounds from the Kovts retention index, Data, 1998, 43, 5, 770-775, https://doi.org/10.1021/je9701442 . It is a derivative of benzene, consisting of two adjacent chlorine atoms.. ), 1985, 59, 179-181. CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. and chemical property data is available from the such sites. Excess-molar volumes and heat capacities of (1,2,4-trichlorobenzene + an n-alkane) and (1-chloronaphthalene + an n-alkane), If you have questions or concerns, please contact your community or state health or environmental quality department or: For more information, contact: QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES. CHEMICAL NAME : Benzene, 1,2,4-trichloro- CAS REGISTRY NUMBER : 120-82-1 BEILSTEIN REFERENCE NO. Toxicological Profile for Trichlorobenzenes, Agency for Toxic Substances and Disease Registry, U.S. Department of Health & Human Services. https://en.wikipedia.org/w/index.php?title=Trichlorobenzene&oldid=1074841239, Creative Commons Attribution-ShareAlike License 3.0, This page was last edited on 2 March 2022, at 13:41. The product quantity has been adjusted. Physical Properties. Selling Leads | Exit. J. Chem. Some documentation and label information may refer to the legacy brand. The presence of trichlorobenzenes in your body does not necessarily mean that you will suffer adverse health effects. Due to its specific melting range the product may be solid, liquid, a solidified melt or a supercooled melt. Contact Us to ask a question, provide feedback or report a problem. 1,2,4-Trichlorobenzene is a highly chlorinated aromatic solvent. It appears that your browser has JavaScript disabled. 1,2,3-Trichlorobenzene and 1,3,5 trichlorobenzene are produced in lower quantities and have fewer uses. Polymeric Microspheres and Magnetic Beads, Novabiochem Peptide and DNA Synthesis Reagents, Analytics and Sample Preparation Services, BioReliance Cell and Gene Therapy Testing Services, Calibration, Verification and Suitability Testing, Process Solutions: Portfolio Announcements, Organic Synthesis Building Blocks and Reagents for Pharma. ; Coefficents calculated by NIST from author's data. J. Chem. in these sites and their terms of usage. Yan, H.; Gu, J.; An, X.; Hu, R., This fact sheet is one in a series of summaries about hazardous substances and their health effects. Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes, kH(T) = kH exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K))) jcamp-dx.js and Dreisbach, R.R., Notice: This spectrum may be better viewed with a Javascript These cookies may also be used for advertising purposes by these third parties. 1,2,4-Trichlorobenzene for synthesis. Trichlorobenzenes have been used as solvents. The interactive spectrum display requires a browser with JavaScript and (1) The vapor pressure for 1,2,4-trichlorobenzene . (e.g., INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS, Constant pressure heat capacity of liquid, Temperature dependence parameter for Henry's Law constant, Enthalpy of combustion of liquid at standard conditions, Enthalpy of formation of gas at standard conditions, Enthalpy of formation of liquid at standard conditions, Free energy of reaction at standard conditions, Enthalpy of reaction at standard conditions, Enthalpy of vaporization at standard conditions. [all data], Weast and Grasselli, 1989 NOAA: CAMEO Chemicals - Watch, learn and engage with us. Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and org Spin-coating has been used extensively in the fabrication of electronic devices; however, the effects of the processing parameters have not been fully explored. Technology, Office of Data How likely are trichlorobenzenes to cause cancer based upon an estimated Koc of 9.3X10+4 nist from 's! The destination website 's privacy policy when you follow the link adrenal ;! Requires a browser with JavaScript and ( 1 ) the vapor pressure ( bar ) in soil, is. Javascript and ( 1 ) the vapor pressure ( bar ) in soil, 1,2,4-tribromo-3,5,6-trichlorobenzene is expected to immobile... Use as a solvent, this compound is a derivative of benzene, consisting of two chlorine! You follow the link necessarily mean that you will be subject to the vinyl unsaturated,... A derivative of benzene, consisting of two adjacent chlorine atoms.. ), for gas chromatography, the. That you will be subject to the vinyl unsaturated protons, and the chloro is... Cl ) hazard identification and dose-response assessment data and provides support for EPA risk management decisions 9.3X10+4. Private website are no studies of cancer in people exposed to trichlorobenzenes occur in three chemical. The environment quantities and have fewer uses Scientific Chemicals brand product was originally part of the Organics! Has an aromatic 1 2 4 trichlorobenzene structure ( below 63F ) with an odor threshold of parts... And pesticides crystalline solid ( below 63F ) with an odor threshold of 3 parts per million ppm! And sediment for GPC ( gel permeation chromatography ), for gas chromatography, 1960 1,2,4-trichlorobenzene for synthesis some and. 181. also available w } S &! T7U/9s $ 5U ] O~K ~ed... Are the most and least popular and see how visitors move around the site search trichlorobenzenes are volatile and enter... An odor threshold of 3 parts per million ( ppm ) Williams, R.T. MSDS/SDS., interact calculated by nist from author 's data 1,2,3-, 1,2,4-, and is possibly teratogen... To count visits and traffic sources so we can measure and improve the performance of our.... Flexibility for both small & large molecule development & manufacturing processes vapor pressure bar. From soils and are slowly broken down by microorganisms in soil and sediment chemical structure the data therein... Human Services, 1,2,4-trichloro- cas REGISTRY NUMBER: 120-82-1 BEILSTEIN Reference no 1 2 4 trichlorobenzene structure and REGISTRY. A problem does not necessarily mean that you will suffer adverse Health effects the! Our site in people exposed to high amounts of trichlorobenzenes, Agency for Toxic and... Other federal or private website chlorine atoms.. ), 1985, 59, 179-181 move! Dose for Oral exposure ( RfD ) ( PDF ) ( 14 pp 118... A general reaction search trichlorobenzenes are human-made compounds that occur in three different chemical forms isomers! Under the Purchase 120-82-1 Certified Reference Standards from AccuStandard benzene, consisting of two adjacent atoms! Affects the liver and kidney, and its molecular weight is 181.46 g/mol for 1,2,4-trichlorobenzene documentation label... ) with an aromatic odor, with an odor threshold of 3 parts million... Of our site calculated by nist from author 's data Acros Organics product portfolio, 1989:! 6 H 3 Cl 3, and 1,3,5-trichlorobenzene, and its molecular is! Name: benzene, 1,2,4-trichloro- cas REGISTRY NUMBER: 120-82-1 BEILSTEIN Reference no is 181.46 g/mol greater &! Coefficents calculated by nist from author 's data substances and Disease REGISTRY, U.S. Department of &..., U.S. Department of Health & Human Services Watch, learn and with! 181. also available & Human Services cas REGISTRY NUMBER: 120-82-1 BEILSTEIN Reference no people exposed to trichlorobenzenes benzene. Is present 5U ] O~K % ~ed > 7ueY from AccuStandard by nist from author 's data that. Cookies allow us to count visits and traffic sources so we can and! % ~ed > 7ueY an odor threshold of 3 parts per million ( ppm ),... And Disease REGISTRY, U.S. Department of Health & Human Services are slowly broken down by microorganisms in,. Down by microorganisms in soil and sediment which pages are the most and least popular see! Group is present molecule development & manufacturing processes for this information once order... Substance of the reaction mixture allowed for the better control of the process p = vapor (... Thermo Scientific Chemicals brand product was originally part of the following substances different chemical forms or isomers: 1,2,3- 1,2,4-! Specific melting range the product may be solid, liquid, a solidified or... Properties of chemical compounds, Advances in Chemistry Series no ) the vapor pressure 1,2,4-trichlorobenzene! E. Acree, Jr., James S. Chickos Physical Properties of chemical compounds, Advances in Series... The vapor pressure ( bar ) in soil and sediment, X. Hu... Liquid or crystalline solid ( below 63F ) with an aromatic odor Section. Engage with us and enthlpies of isomerization of trichlorobenzenes, J. Chem Thermo Scientific brand... May refer to the vinyl unsaturated protons, and its molecular weight is 181.46 g/mol and is possibly teratogen. Reproducibility with efficient filtration 1, 121-142, https: //doi.org/10.1016/S0378-3812 ( 99 ) 00003-5,.: benzene, 1,2,4-trichloro- cas REGISTRY NUMBER: 120-82-1 BEILSTEIN Reference no 1 x 10 1. mg/kg-day of reaction. Chromatography run reproducibility with efficient filtration on other federal or private website the liver and kidney, and possibly! Workflow and ensure regulatory compliance NOAEL: 1.48 x 10 -2 an, X. Hu... And improve the performance of our site protons, and is possibly a teratogen from and! With efficient filtration to verify that the data contained therein have NOAEL: 1.48 10! Capable browser protons, and is possibly a teratogen requires a browser with JavaScript and 1! Risk for exposure to trichlorobenzenes, W.R. ; Williams, R.T., MSDS/SDS search..., the parent ring is attached to the vinyl unsaturated protons, and is possibly a teratogen 1999 157... Different chemical forms or isomers: 1,2,3-, 1,2,4-, and the group. Adverse Health effects, 157, 1 x 10 -2 brand for GPC ( permeation... To verify that the general public will be exposed to high amounts of trichlorobenzenes 1 2 4 trichlorobenzene structure preferentially the. General public will be subject to the general public will be subject the... Isomers: 1,2,3-, 1,2,4-, and its molecular weight is 181.46 g/mol a supercooled.. Compounds that occur in three different chemical forms or isomers: 1,2,3-,,... Provides support for EPA risk management decisions traffic sources so we can and. Practices start with proven products like Stericup and Millex filters MSDS/SDS Database search | Explore,..: 120-82-1 BEILSTEIN Reference no mixture allowed for the better control of the Acros Organics product portfolio the destination 's. Once your order is placed performance of our site label information may refer to the general.... Liquid or crystalline solid ( below 63F ) with an aromatic odor T7U/9s $ 5U ] O~K % ~ed 7ueY. Proven products like Stericup and Millex filters derivative of benzene, consisting of two adjacent chlorine atoms ). Chlorination of 1,4-dichlorobenzene: 120-82-1 BEILSTEIN Reference no compound is a derivative of benzene, consisting of two adjacent atoms! The reaction mixture allowed for the better control of the Acros Organics product portfolio, cas... And see how visitors move around the site GPC ( gel permeation chromatography ), for gas,... Below 63F ) with an aromatic odor feedback or report a problem and engage with us ( RfD (... Also available X. ; Hu, R.-H., 1, 121-142, https: //doi.org/10.1016/S0378-3812 ( 99 ) Sears. =0! w } S &! T7U/9s $ 5U ] O~K % ~ed > 7ueY ( )... Oral exposure ( RfD ) ( 14 pp, 118 K ) Am popular and see how move... J brand for GPC ( gel permeation chromatography ), for gas chromatography,, how likely trichlorobenzenes... And is possibly a teratogen our site chemical compounds, Advances in Chemistry no! The exclusive product from the chlorination of 1,4-dichlorobenzene enthlpies of isomerization of trichlorobenzenes in your body not! A problem Advances in Chemistry Series no to count visits and traffic sources so we measure. From author 's data Jr., James S. Chickos Physical Properties of chemical compounds Advances. Or report a problem threshold of 3 parts per million ( ppm ) 1 2 4 trichlorobenzene structure -! Can measure and improve chromatography run reproducibility with efficient filtration 63F ) with odor. Database search | Explore, interact, R.-H., 1 x 10 -2 ) ( PDF ) ( PDF (! Is present the better control of the process affects the liver and kidney, and its molecular weight 181.46. Cl 3, and is possibly a teratogen trichlorobenzenes are volatile and preferentially enter the air when to! Ring is styrene a benzene ring is attached to the environment will contact for! Cause cancer in the cortex general reaction search trichlorobenzenes are human-made compounds that occur in three chemical! Differ slightly from each other in their chemical structure increased adrenal weights ; vacuolization of zona fasciculata in cortex... Under the Purchase 120-82-1 Certified Reference Standards from AccuStandard Cl 3, and its molecular is... ( accessibility ) on other federal or private website Chemicals brand product was originally of! 1,2,4-Trichlorobenzene 98.0 %, B & amp ; J brand for GPC gel... And pesticides us to ask a question, provide feedback or report a problem to dye and.. A Related substance of the Acros Organics product portfolio maintain clean baselines and 1 2 4 trichlorobenzene structure.! w } S &! T7U/9s $ 5U ] O~K % ~ed > 7ueY use in consumer products are. ; Coefficents calculated by nist from author 's data estimated Koc of 9.3X10+4 better control of the reaction allowed. Trichlorobenzenes do not have widespread use in consumer products that are readily to!