1,3-Bis(trichloromethyl)benzene

Base Information

• Chemical Name: 1,3-Bis(trichloromethyl)benzene
• CAS No.: 881-99-2
• Molecular Formula: C8H4 Cl6
• Molecular Weight: 312.838
• Hs Code.: 2903999090
• European Community (EC) Number: 212-923-8
• NSC Number: 41882
• UNII: WH88VBU889
• DSSTox Substance ID: DTXSID00236822
• Nikkaji Number: J91.313H
• Wikidata: Q83118892
• Mol file: 881-99-2.mol

Synonyms:hexachlorometaxylol

Chemical Property of 1,3-Bis(trichloromethyl)benzene

Chemical Property:

• Vapor Pressure: 0.00145mmHg at 25°C
• Melting Point: 41-42 °C
• Refractive Index: 1.5840 (estimate)
• Boiling Point: 305.8°C at 760 mmHg
• Flash Point: 38 °C
• PSA: 0.00000
• Density: 1.628g/cm³
• LogP: 5.34000
• Storage Temp.: 2-8°C
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 311.841466
• Heavy Atom Count: 14
• Complexity: 171

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,3-bis(Trichloromethyl)benzene ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

Technology Process of 1,3-Bis(trichloromethyl)benzene

There total 4 articles about 1,3-Bis(trichloromethyl)benzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.45%

m-xylene (108-38-3,104809-90-7) → 1,3-bis-trichloromethyl-benzene (881-99-2)

Guidance literature:

With chlorine; at 60 - 180 ℃; for 14h; Temperature;

Reference yield: 93.5%

α,α,α',α'-Tetrachloro-m-xylene (30430-40-1) → 1,3-bis-trichloromethyl-benzene (881-99-2)

Guidance literature:

In sodium hydroxide;

Reference yield:

chlorine (7782-50-5) + m-xylene (108-38-3,104809-90-7) → 1,3-bis-trichloromethyl-benzene (881-99-2)

Guidance literature:

at 70 - 150 ℃; Licht;

DOI:10.1021/ie50447a613

upstream raw materials:

m-xylene

chlorine

α,α,α',α'-Tetrachloro-m-xylene

Downstream raw materials:

benzene-1,3-dicarbonyl dichloride

diethyl isophthalate

dimethyl Isophthalate

1-trifluoromethoxybenzene

Refernces

• 1、 -. "CLEAN PROCESS FOR PREPARING CHLOROFORMYL-SUBSTITUTED BENZENE". Paragraph 0125; 0153; 0163. . Retrieved 2017/12/17.
• 2、 -. "B (trichloromethyl) benzene molecular distillation purification method". Paragraph 0031; 0032; 0033. . Retrieved 2017/01/02.