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Substance Name: Benzene, 1-chloro-3-methyl-4-nitro- (9CI)
RN: 5367-28-2
InChIKey: NSMZCUAVEOTJDS-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H6-Cl-N-O2

Molecular Weight

  • 171.582
 
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Names and Synonyms

Synonyms

  • 4-05-00-00854 (Beilstein Handbook Reference)
  • 5-Chloro-2-nitrotoluene
  • BRN 2502585
  • EINECS 226-355-3

Systematic Names

  • 3-Chloro-6-nitrotoluene
  • Benzene, 1-chloro-3-methyl-4-nitro- (9CI)
  • Toluene, 5-chloro-2-nitro-

Registry Numbers

CAS Registry Number

  • 5367-28-2

System Generated Number

  • 0005367282

Structure Descriptors

InChI

1S/C7H6ClNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3

InChIKey

NSMZCUAVEOTJDS-UHFFFAOYSA-N

Smiles

[N+](c1c(cc(cc1)Cl)C)([O-])=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 25.5 deg C   EXP
log P (octanol-water) 3.000 (none)   EST
Atmospheric OH Rate Constant 5.84E-13 cm3/molecule-sec 25 EST

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