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Substance Name: 2-Chloro-4-nitrotoluene
RN: 121-86-8
UNII: 9T26LNR6T8
InChIKey: LLYXJBROWQDVMI-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C7-H6-Cl-N-O2

Molecular Weight

  • 171.582
 
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Names and Synonyms

Name of Substance

  • 2-Chloro-4-nitrotoluene
  • 3-Chloro-4-methylaniline

Synonyms

  • 2-Chloro-1-methyl-4-nitrobenzene
  • 2-Chloro-4-nitro-1-methylbenzene
  • 2-Chloro-4-nitrotoluen
  • 2-Chloro-4-nitrotoluen [Czech]
  • 2-Chloro-4-nitrotoluene
  • 3-Chloro-4-methylnitrobenzene
  • 4-05-00-00855 (Beilstein Handbook Reference)
  • Benzene, 2-chloro-1-methyl-4-nitro-
  • BRN 1817924
  • CNT
  • EC 204-501-7
  • EINECS 204-501-7
  • HSDB 5592
  • NSC 60111
  • o-Chloro-p-nitrotoluol
  • Toluene, 2-chloro-4-nitro-
  • UNII-9T26LNR6T8

Systematic Names

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

Superlist Name

  • Toluene, 2-chloro-4-nitro-

Registry Numbers

CAS Registry Number

  • 121-86-8

FDA UNII

  • 9T26LNR6T8

System Generated Number

  • 0000121868

Structure Descriptors

InChI

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

InChIKey

LLYXJBROWQDVMI-UHFFFAOYSA-N

Smiles

c1(cc(c(C)cc1)Cl)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 66.5 deg C   EXP
Boiling Point 260 deg C   EXP
log P (octanol-water) 3.000 (none)   EST
Water Solubility 67.2 mg/L 25 EST
Vapor Pressure 0.011 mm Hg 25 EST
Henry's Law Constant 1.74E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.06E-05 cm3/molecule-sec 25 EST

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