Pentachlorophenyl trichloroacetate

Modify Date: 2026-07-01 14:17:41

Pentachlorophenyl trichloroacetate Structure
Pentachlorophenyl trichloroacetate structure
Common Name Pentachlorophenyl trichloroacetate
CAS Number 2879-60-9 Molecular Weight 411.70800
Density 1.862g/cm3 Boiling Point 406ºC at 760mmHg
Molecular Formula C8Cl8O2 Melting Point 129ºC
MSDS N/A Flash Point 160.7ºC

 Names

Name (2,3,4,5,6-pentachlorophenyl) 2,2,2-trichloroacetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.862g/cm3
Boiling Point 406ºC at 760mmHg
Melting Point 129ºC
Molecular Formula C8Cl8O2
Molecular Weight 411.70800
Flash Point 160.7ºC
Exact Mass 407.74100
PSA 26.30000
LogP 6.22920
Vapour Pressure 8.4E-07mmHg at 25°C
Index of Refraction 1.609
InChIKey WMUFBMFZOHGUPA-UHFFFAOYSA-N
SMILES O=C(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(Cl)(Cl)Cl

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SM6670000
CHEMICAL NAME :
Phenol, pentachloro-, trichloroacetate
CAS REGISTRY NUMBER :
2879-60-9
BEILSTEIN REFERENCE NO. :
1890350
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-Cl8-O2
MOLECULAR WEIGHT :
411.68
WISWESSER LINE NOTATION :
GXGGVOR BG CG DG EG FG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03667

 Safety Information

RTECS SM6670000
HS Code 2915400090

 Synthetic Route

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Pentachlorophenyl trichloroacetate Structure

Pentachlorophen...

CAS#:2879-60-9

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Literature: Dow Chem. Co. Patent: US2658071 , 1951 ;

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Pentachlorophenyl trichloroacetate Structure

Pentachlorophen...

CAS#:2879-60-9

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Literature: Kamennov,N.A. et al. J. Appl. Chem. USSR (Engl. Transl.), 1967 , vol. 40, # 3 p. 643 - 647,624 - 627

 Customs

HS Code 2915400090
Summary 2915400090 mono-, di- or trichloroacetic acids, their salts and esters

 Synonyms

Acetic acid,trichloro-,pentachlorophenyl ester
pentachlorophenol trichloroacetate
TCA-O-PCP
Trichloroacetic Acid Pentachlorophenyl Ester
Trichlor-essigsaeure-pentachlorphenylester
Pentachlorphenyl-trichloracetat
Perchlorophenyl 2,2,2-trichloroacetate
Phenol,pentachloro-,trichloroacetate
Pentachlorophenyl trichloroacetate
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