Description

1,4-Bis(trichloromethyl)benzene (CAS No. 68-36-0) is a high-purity chlorinated aromatic compound with the molecular formula C₈H₄Cl₆. This crystalline solid is widely utilized in organic synthesis and specialty chemical applications due to its reactive trichloromethyl groups. With an IUPAC name of 1,4-bis(trichloromethyl)benzene, this compound is supplied as a white to off-white powder with guaranteed purity levels suitable for research and industrial processes. Its unique structure makes it valuable as a precursor for pharmaceuticals, agrochemicals, and advanced materials. Proper handling is essential due to its reactivity – store in a cool, dry place away from incompatible substances.

Properties

• CAS Number: 68-36-0
• Complexity: 161
• IUPAC Name: 1,4-bis(trichloromethyl)benzene
• InChI: InChI=1S/C8H4Cl6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H
• InChI Key: OTEKOJQFKOIXMU-UHFFFAOYSA-N
• Exact Mass: 311.841466
• Molecular Formula: C8H4Cl6
• Molecular Weight: 312.8
• SMILES: C1=CC(=CC=C1C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
• Monoisotopic Mass: 309.844416
• Physical Description: Solid; Slightly yellow fine crystals;
• Color/Form: CRYSTALS FROM HEXANE OR ETHER
• Melting Point: 108-110 °C
• Vapor Pressure: 0.00102 [mmHg]
• Synonyms: 1,4-BIS(TRICHLOROMETHYL)BENZENE, Bitriben, hexachloroparaxylene, Benzene, 1,4-bis(trichloromethyl)-, Hexachloro-4-xylene, 1,4-Bis-trichloromethyl benzene, HSDB 5202, EINECS 200-686-3, UNII-42CH2735EU, BRN 2051282, p-Xylene hexachloride, DTXSID7026366, AI3-02587, NSC-41883, DTXCID406366, 4-05-00-00968 (Beilstein Handbook Reference), HEXACHLOROPARAXYLENE [MART.], Benzene, 1,4-bis[trichloromethyl]-, 1,4-HEXACHLORODIMETHYL-BENZENE, 1,4-BIS(TRICHLOROMETHYL)BENZENE [MI], P-XYLENE,.ALPHA.,.ALPHA.’-HEXACHLORO-, 1,4-BIS(TRICHLOROMETHYL)BENZENE [HSDB], HEXACHLOROPARAXYLENE (MART.), Hexachloro4xylene, pDi(trichloromethyl)benzene, alpha,alpha’Hexachloroxylene, pBis(perchloromethyl)benzene, pBis(trichloromethyl)benzene, 1,4Bistrichloromethyl benzene, 1,4Di(trichloromethyl)benzene, pXylene, alpha,alpha’hexachloro, Benzene, 1,4bis(trichloromethyl), P-XYLENE,ALPHA,ALPHA’-HEXACHLORO-, alpha,alpha,alpha,alpha’,alpha’,alpha’Hexachloropxylene, pXylene, alpha,alpha,alpha,alpha’,alpha’,alpha’hexachloro, inchi=1/c8h4cl6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4, otekojqfkoixmu-uhfffaoysa-n, 68-36-0, Chloksil, Hexichol, Khloksil, Chloxil, Chloxyl, Cloxil, Khloxil, Hetol, Hexachloroparaxylol, p-Bis(perchloromethyl)benzene, p-Bis(trichloromethyl)benzene, 2,2-Hexachloro-p-xylene, 1,4-Di(trichloromethyl)benzene, p-Di(trichloromethyl)benzene, alpha,alpha,alpha,alpha’,alpha’,alpha’-Hexachloro-p-xylene, Hexachloroxylene, NSC 41883, .omega.-Hexachloro-p-xylene, 42CH2735EU, .alpha.,.alpha.’-Hexachloroxylene, .alpha.,.alpha.’-Hexachloro-p-xylene, .omega.,.omega.’-Hexachloro-p-xylene, .alpha.,.alpha.,.alpha.,.alpha.’,.alpha.’,.alpha.’-Hexachloro-p-xylene, p-Xylene, .alpha.,.alpha.,.alpha.,.alpha.’,.alpha.’,.alpha.’-hexachloro-, alpha,alpha’-Hexachloroxylene, p-Xylene, alpha,alpha’-hexachloro-, 1,4-bis-(trichloromethyl)-benzene, MFCD00000791, SCHEMBL545084, p-Xylene,.alpha.’-hexachloro-, SCHEMBL7070225, CHEMBL3182002, 1:4-Bis(trichloromethyl)benzene, Benzene,4-bis(trichloromethyl)-, ,,,’,’,’-Hexachloro-p-xylene, p-Xylene, alpha,alpha,alpha,alpha’,alpha’,alpha’-hexachloro-, NSC41883, Tox21_200257, SBB012710, AKOS016347403, CAS-68-36-0, NCGC00248579-01, NCGC00257811-01, AS-75866, p-Xylene, .alpha.,.alpha.’-hexachloro-, DB-030690, HY-121154, CS-0079553, H0064, NS00004601, D90791, Q4498147, .alpha.,.alpha.,.alpha.’,.alpha.’,.alpha.’-Hexachloro-p-xylene, p-Xylene,.alpha.,.alpha.,.alpha.’,.alpha.’,.alpha.’-hexachloro-

Application

1,4-Bis(trichloromethyl)benzene serves as a key intermediate in organic synthesis, particularly in the preparation of pharmaceutical compounds and specialty chemicals. Researchers utilize this compound in the development of novel materials due to its ability to introduce multiple reactive sites in aromatic systems. In agrochemical research, it finds application as a building block for pesticide formulations. The compound’s trichloromethyl groups make it valuable for radical reactions and nucleophilic substitutions in synthetic chemistry.

Safety and Hazards

GHS Hazard Statements

• H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]
• H311 (25%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H331 (25%): Toxic if inhaled [Danger Acute toxicity, inhalation]

Precautionary Statements

• P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1C (100%)
• Eye Dam. 1 (50%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.