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Substance Name: 1,4-Naphthoquinone, 2-benzylthio-3-chloro-
RN: 73816-81-6
InChIKey: MZJPVYZIMKYPCN-UHFFFAOYSA-N

Molecular Formula

  • C17-H11-Cl-O2-S

Molecular Weight

  • 314.791
 
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Names and Synonyms

Synonyms

  • 1,4-Naphthoquinone, 2-benzylthio-3-chloro-
  • 2-Benzylthio-3-chloro-1,4-naphthoquinone
  • 2-Chloro-3-benzylmercapto-1,4-naphthoquinone
  • BRN 2590309
  • NSC 222721

Systematic Names

  • 1,4-Naphthalenedione, 2-chloro-3-((phenylmethyl)thio)- (9CI)
  • 1,4-Naphthoquinone, 2-benzylthio-3-chloro-

Registry Numbers

CAS Registry Number

  • 73816-81-6

System Generated Number

  • 0073816816

Structure Descriptors

InChI

1S/C17H11ClO2S/c18-14-15(19)12-8-4-5-9-13(12)16(20)17(14)21-10-11-6-2-1-3-7-11/h1-9H,10H2

InChIKey

MZJPVYZIMKYPCN-UHFFFAOYSA-N

Smiles

c12c(C(C(Cl)=C(C1=O)SCc1ccccc1)=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05119,