1,1,1-Trichloro-2,2-diphenylethane
Basic information
- CAS
2971-22-4- Standard SMILES
ClC(Cl)(Cl)C(c1ccccc1)c1ccccc1- InChIKey
ZADGQTHIZZOKGE-UHFFFAOYSA-N- Molecular formula
- C14H11Cl3
- Average molar mass
- 285.6 g/mol
- Monoisotopic mass
- 283.992633
Overview
1,1,1-trichloro-2,2-diphenylethane is an organochlorine compound. It derives from a hydride of a diphenylmethane.
Names & identifiers
- Preferred name
- 1,1,1-Trichloro-2,2-diphenylethane
- IUPAC
- (2,2,2-trichloro-1-phenylethyl)benzene
- English name
- 1,1'-(2,2,2-trichloroethylidene)dibenzene
- Molecular formula
- C14H11Cl3
- Molecular weight
- 285.6
Names & synonyms
Diphenyltrichloroethane1,1'-(2,2,2-Trichloroethylidene)dibenzene1,1-Diphenyl-2,2,2-trichloroethaneDPT [Pesticide]1,1,1-TRICHLORO-2,2-DIPHENYLETHANEBenzene, 1,1'-(2,2,2-trichloroethylidene)bis-HSDB 5908UNII-DCE98CK2EWNSC 4181EINECS 221-007-7BRN 1963701Ethane, 2,2-diphenyl-1,1,1-trichloro-
Show more names
2,2-bis(phenyl)-1,1,1-trichloroethane(2,2,2-trichloro-1-phenylethyl)benzene
AI3-01842NSC-41811,1'-(2,2,2-trichloroethane-1,1-diyl)dibenzeneDTXSID70519731,1'-(2,2,2-trichloroethylidene)bisbenzeneCHEBI:39161DPT (Pesticide)4-05-00-01882 (Beilstein Handbook Reference)
Database identifiers
- CAS
2971-22-4- PubChem CID
- 18085
- DTXSID
DTXSID7051973- ChEBI
CHEBI:39161- UNII
- DCE98CK2EW
- EC Number
- 221-007-7
- Nikkaji
- J71.420H
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 204
Experimental & physicochemical properties
DrugsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
PolymersOther Classes -> Halogenated Polyaromatics
LogP4.87
Color/FormLEAVES FROM ETHYL OR METHYL ALCOHOL
SolubilitySOL IN ALCOHOL
Melting Point65 °C
Vapor Pressure0.0000899 [mmHg]
Physical DescriptionSolid; [HSDB]
Physicochemical properties
- Melting point
- 65 °C · 65 °C
- Boiling point
- 367.68 °C · 367.68°C (rough estimate)
- Density
- 1.2182 · 1.2182 (rough estimate)
- refractive index
- 1.561 · 1.5610 (estimate)
- FDA UNII
- 98 CK2EW · DCE98CK2EW
- EPA Substance Registry System
- 1 · Benzene, 1,1'-(2,2,2-trichloroethylidene)bis- (2971-22-4)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H410-H319
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- TSCA
- TSCA listed
- Hazardous Substances Data
- 2971 · 2971-22-4(Hazardous Substances Data)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryOne of the synonyms for DDT is 1,1,1-Trichloro-2,2-di(4-chlorophenyl)-ethane.
See DDT.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H410-H319
- Precautionary statements
- P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- Hazardous Substances Data
- 2971-22-4(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
Uses
Used as a chemical intermediate for diphenylacetic acid (herbicide intermediate); [HSDB]
CHEM INT FOR DIPHENYLACETIC ACID (HERBICIDE INT)
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS
(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS
Methods of ManufacturingPROBABLY BY CONDENSATION OF CHLORAL OR CHLORAL HYDRATE WITH BENZENE IN THE PRESENCE OF SULFURIC ACID
General Manufacturing InformationBenzene, 1,1'-(2,2,2-trichloroethylidene)bis-: INACTIVE
Additional notes
DefinitionChEBI: 1,1,1-trichloro-2,2-diphenylethane is an organochlorine compound. It derives from a hydride of a diphenylmethane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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