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Substance Name: Phenol, pentachloro-, p-chlorobenzoate
RN: 2948-12-1
InChIKey: SMGVQZFGGUDSBZ-UHFFFAOYSA-N

Molecular Formula

  • C13-H4-Cl6-O2

Molecular Weight

  • 404.891
 
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Names and Synonyms

Synonyms

  • 4-09-00-00977 (Beilstein Handbook Reference)
  • Benzoic acid, p-chloro-, pentachlorophenyl ester
  • BRN 2172087
  • NSC 404989
  • Pentachlorophenol p-chlorobenzoate
  • Pentachlorophenyl-p-chlorobenzoate
  • Phenol, pentachloro-, p-chlorobenzoate

Systematic Names

  • Benzoic acid, 4-chloro-, pentachlorophenyl ester (9CI)
  • Phenol, pentachloro-, p-chlorobenzoate

Registry Numbers

CAS Registry Number

  • 2948-12-1

System Generated Number

  • 0002948121

Structure Descriptors

InChI

1S/C13H4Cl6O2/c14-6-3-1-5(2-4-6)13(20)21-12-10(18)8(16)7(15)9(17)11(12)19/h1-4H

InChIKey

SMGVQZFGGUDSBZ-UHFFFAOYSA-N

Smiles

c1(c(c(Cl)c(c(c1Cl)Cl)Cl)Cl)OC(c1ccc(cc1)Cl)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02357,