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Substance Name: Benzene, 1-chloro-2-methyl-4-nitro-
RN: 13290-74-9
InChIKey: BGDCQZFFNFXYQC-UHFFFAOYSA-N

Molecular Formula

  • C7-H6-Cl-N-O2

Molecular Weight

  • 171.582
 
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Names and Synonyms

Synonyms

  • 1-Chloro-2-methyl-4-nitrobenzene
  • 2-Chloro-5-nitrotoluene
  • 2-Methyl-4-nitrochlorobenzene
  • 3-Nitro-6-chlorotoluene
  • EINECS 236-306-8

Systematic Names

  • 2-Chloro-5-nitrotoluene
  • Benzene, 1-chloro-2-methyl-4-nitro-

Registry Numbers

CAS Registry Number

  • 13290-74-9

System Generated Number

  • 0013290749

Structure Descriptors

InChI

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

InChIKey

BGDCQZFFNFXYQC-UHFFFAOYSA-N

Smiles

O=[N+]([O-])c1ccc(c(C)c1)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 42.5 deg C   EXP
Boiling Point 249 deg C   EXP
log P (octanol-water) 3.000 (none)   EST
Atmospheric OH Rate Constant 3.46E-13 cm3/molecule-sec 25 EST

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