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Substance Name: 4-Nitrodiphenyl thioether
RN: 952-97-6
InChIKey: RJCBYBQJVXVVKB-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C12-H9-N-O2-S

Molecular Weight

  • 231.274
 
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Names and Synonyms

Name of Substance

  • 4-Nitrodiphenyl thioether

Synonyms

  • 1-Nitro-4-(phenylthio)benzene
  • 4-06-00-01694 (Beilstein Handbook Reference)
  • 4-Nitrodiphenyl sulfide
  • 4-Nitrodiphenyl thioether
  • 4-Nitrophenyl phenyl sulfide
  • BRN 1912782
  • CCRIS 3887
  • EINECS 213-462-5
  • NSC 87341
  • p-Nitrodiphenyl sulfide
  • p-Nitrophenyl phenyl sulfide
  • Phenyl p-nitrophenylsulfide
  • Phenyl-p-nitrophenyl sulfide

Systematic Names

  • 4-Nitrodiphenyl thioether
  • 4-Nitrophenyl phenyl sulphide
  • Benzene, 1-nitro-4-(phenylthio)- (9CI)
  • Sulfide, p-nitrophenyl phenyl

Registry Numbers

CAS Registry Number

  • 952-97-6

System Generated Number

  • 0000952976

Structure Descriptors

InChI

1S/C12H9NO2S/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H

InChIKey

RJCBYBQJVXVVKB-UHFFFAOYSA-N

Smiles

c1(Sc2ccccc2)ccc([N+]([O-])=O)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 56 deg C   EXP
log P (octanol-water) 4.110 (none)   EST
Atmospheric OH Rate Constant 1.41E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.