Benzene, (3,3,3-trichloro-1-methylenepropyl)-

Base Information

• Chemical Name: Benzene, (3,3,3-trichloro-1-methylenepropyl)-
• CAS No.: 20057-31-2
• Molecular Formula: C10H9Cl3
• Molecular Weight: 235.5375
• Hs Code.: 2903999090
• UNII: ZF4YMK32B2
• DSSTox Substance ID: DTXSID00173869
• Nikkaji Number: J19.816A
• Wikidata: Q81985473
• Mol file: 20057-31-2.mol

Synonyms:Tavron;20057-31-2;Benzene, (3,3,3-trichloro-1-methylenepropyl)-;4,4,4-trichlorobut-1-en-2-ylbenzene;Travron G;ZF4YMK32B2;(3,3,3-Trichloro-1-methylenepropyl)benzene;(4,4,4-trichlorobut-1-en-2-yl)benzene;Dowco-221;UNII-ZF4YMK32B2;SCHEMBL10486356;DTXSID00173869;alpha-(2,2,2-trichloroethyl)styrene;AKOS015961112;FT-0738165;.ALPHA.-(2,2,2-TRICHLOROETHYL)STYRENE;Benzene, (3,3,3-trichloro-1-methylenepropyl);STYRENE, .ALPHA.-(2,2,2-TRICHLOROETHYL)-

Chemical Property of Benzene, (3,3,3-trichloro-1-methylenepropyl)-

Chemical Property:

• Vapor Pressure: 0.00191mmHg at 25°C
• Boiling Point: 301.2°Cat760mmHg
• Flash Point: 202.7°C
• PSA: 0.00000
• Density: 1.266g/cm³
• LogP: 4.46010
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 233.976983
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

TAVRON 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, (3,3,3-trichloro-1-methylenepropyl)-

There total 4 articles about Benzene, (3,3,3-trichloro-1-methylenepropyl)- 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: 74.0%

tetrachloromethane (56-23-5) + isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → α-(2,2,2-trichloroethyl)styrene (20057-31-2)

Guidance literature:

With diethylamine; copper(II) oxide; at 120 ℃; for 8h;

Reference yield:

isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → α-(2,2,2-trichloroethyl)styrene (20057-31-2)

Guidance literature:

γ-Strahlung;

DOI:10.1021/ja01575a030

Reference yield:

isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → α-(2,2,2-trichloroethyl)styrene (20057-31-2) + 1,1,1,6,6,6-hexachloro-3,4-dimethyl-3,4-diphenyl-hexane (102316-28-9)

Guidance literature:

unter Einwirkung von γ-Strahlen;

DOI:10.1021/ja01575a030

upstream raw materials:

tetrachloromethane

isopropenylbenzene

Downstream raw materials:

α-(chloromethyl)-α-(2,2,2-trichloroethyl)benzenemethanol

α-(bromomethyl)-α-(2,2,2-trichloroethyl)benzenemethanol

α-(Iodomethyl)-α-(2,2,2-trichloroethyl)-benzenemethanol