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Substance Name: 4-Nitro-m-xylene
RN: 89-87-2
UNII: 7EM84EUE05
InChIKey: BBUPBICWUURTNP-UHFFFAOYSA-N

Molecular Formula

  • C8-H9-N-O2

Molecular Weight

  • 151.164
 
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Names and Synonyms

Name of Substance

  • 4-Nitro-m-xylene

Synonyms

  • 1,3-Dimethyl-4-nitrobenzene
  • 1-Nitro-2,4-dimethylbenzene
  • 2,4-Dimethyl-1-nitrobenzene
  • 2,4-Dimethylnitrobenzene
  • 4-Nitro-1,3-dimethylbenzene
  • 4-Nitro-1,3-xylene
  • 4-Nitro-m-xylene
  • CCRIS 3120
  • EC 201-947-4
  • EINECS 201-947-4
  • NSC 50661
  • UNII-7EM84EUE05

Systematic Names

  • 4-Nitro-m-xylene
  • Benzene, 2,4-dimethyl-1-nitro-
  • m-Xylene, 4-nitro- (8CI)

Superlist Name

  • m-Xylene, 4-nitro-

Registry Numbers

CAS Registry Number

  • 89-87-2

FDA UNII

  • 7EM84EUE05

System Generated Number

  • 0000089872

Structure Descriptors

InChI

1S/C8H9NO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3

InChIKey

BBUPBICWUURTNP-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 9 deg C   EXP
Boiling Point 247 deg C   EXP
log P (octanol-water) 2.910 (none)   EST
Water Solubility 101 mg/L 25 EST
Vapor Pressure 0.0573 mm Hg 25 EXP
Henry's Law Constant 2.59E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.93E-12 cm3/molecule-sec 25 EST

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