Diphenyltrichloroethane

Base Information

• Chemical Name: Diphenyltrichloroethane
• CAS No.: 2971-22-4
• Molecular Formula: C14H11 Cl3
• Molecular Weight: 285.6
• Hs Code.: 2903999090
• European Community (EC) Number: 221-007-7
• NSC Number: 4181
• UNII: DCE98CK2EW
• DSSTox Substance ID: DTXSID7051973
• Nikkaji Number: J71.420H
• Wikidata: Q27119761
• Metabolomics Workbench ID: 56180
• Mol file: 2971-22-4.mol

Synonyms:Diphenyltrichloroethane;2,2-Diphenyl-1,1,1-trichloroethane;2971-22-4;1,1'-(2,2,2-Trichloroethylidene)dibenzene;DPHDT;1,1,1-TRICHLORO-2,2-DIPHENYLETHANE;1,1-Diphenyl-2,2,2-trichloroethane;DPE;(2,2,2-trichloro-1-phenylethyl)benzene;Benzene, 1,1'-(2,2,2-trichloroethylidene)bis-;Ethane, 1,1,1-trichloro-2,2-diphenyl-;DPT (VAN);DPT [Pesticide];HSDB 5908;NSC 4181;EINECS 221-007-7;UNII-DCE98CK2EW;DCE98CK2EW;BRN 1963701;Ethane, 2,2-diphenyl-1,1,1-trichloro-;AI3-01842;NSC-4181;2,2-Diphenyl-1.1.1-trichloroethane;1,1'-(2,2,2-trichloroethylidene)bisbenzene;1,1'-(2,2,2-trichloroethane-1,1-diyl)dibenzene;WLN: GXGGYR&R;SCHEMBL4373477;DTXSID7051973;CHEBI:39161;NSC4181;1,1-Trichloro-2,2-diphenylethane;AKOS003658494;Ethane,1,1-trichloro-2,2-diphenyl-;Ethane,2-diphenyl-1,1,1-trichloro-;LS-65548;(2,2,2-trichloro-1-phenyl-ethyl)benzene;(2,2,2-trichloroethane-1,1-diyl)dibenzene;2,2,2-TRICHLORO-1,1-DIPHENYLETHANE;Benzene,1'-(2,2,2-trichloroethylidene)bis-;1,1,1-TRICHLORO-2,2-DIPHENYLETHANE [HSDB];Q27119761

Chemical Property of Diphenyltrichloroethane

Chemical Property:

• Melting Point: 65 °C
• Refractive Index: 1.5610 (estimate)
• Boiling Point: 353.8°Cat760mmHg
• Flash Point: 245.1°C
• PSA: 0.00000
• Density: 1.296g/cm³
• LogP: 5.18870
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 283.992633
• Heavy Atom Count: 17
• Complexity: 204

Purity/Quality:

99% ^*data from raw suppliers

2,2-DIPHENYL-1,1,1-TRICHLOROETHANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Polyaromatics
• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(Cl)(Cl)Cl

Technology Process of Diphenyltrichloroethane

There total 12 articles about Diphenyltrichloroethane 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: 15.0%

chloral (75-87-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2,2-bis(phenyl)-1,1,1-trichloroethane (2971-22-4) + α,β,β,β-tetrachloroethylbenzene (4714-28-7) + 2,2,2-trichloro-1-phenylethanol (2000-43-3)

Guidance literature:

With aluminium trichloride;

Reference yield:

tetrachloromethane (56-23-5) + 1,1-diphenylacetone (781-35-1) → 2,2-bis(phenyl)-1,1,1-trichloroethane (2971-22-4) + 1,1,2,2-tetraphenylethane (632-50-8) + diphenylchloromethane (90-99-3)

Guidance literature:

at 30 - 35 ℃; Product distribution; Mechanism; Irradiation; also with dicumyl peroxide; var. solvents and source of irradiation;

DOI:10.1021/ja00067a067

Reference yield:

1,2,2-triphenylethan-1-one (1733-63-7) → benzophenone (119-61-9) + 2,2-bis(phenyl)-1,1,1-trichloroethane (2971-22-4) + 1,1,2,2-tetraphenylethane (632-50-8) + diphenylchloromethane (90-99-3)

Guidance literature:

In tetrachloromethane; Product distribution; Mechanism; Irradiation; other solvent, var. photolysis mode;

DOI:10.1021/ja00041a020

upstream raw materials:

chloral

benzene

chloral hydrate

tetrachloromethane

Downstream raw materials:

4,4'-dichlorovinylidene-di-benzoic acid

2,2-diphenylacetic acid

(E)-1,2-diphenyl-ethene

1,1'-ethylidenebis-benzene

Refernces

• 1、 Adam, Waldemar,Oestrich, Rolf Schulte. "Two-photon chemistry in the laser jet: Photoionization of the diphenylmethyl radical generated by norrish type I photocleavage of benzhydryl phenyl ketone". . p. 6031 - 6034. Retrieved 2007/10/02.