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Substance Name: 1,3-Dimethyl-5-nitrobenzene
RN: 99-12-7
UNII: 5HVW2QTF0D
InChIKey: BYFNZOKBMZKTSC-UHFFFAOYSA-N

Molecular Formula

  • C8-H9-N-O2

Molecular Weight

  • 151.164
 
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Names and Synonyms

Name of Substance

  • 1,3-Dimethyl-5-nitrobenzene

Synonyms

  • 1,3-Dimethyl-5-nitrobenzene
  • 3,5-Dimethyl-1-nitrobenzene
  • 3,5-Dimethylnitrobenzene
  • 5-Nitro-m-xylene
  • CCRIS 3121
  • EINECS 202-732-8
  • NSC 5403
  • UNII-5HVW2QTF0D

Systematic Names

  • 5-Nitro-m-xylene
  • Benzene, 1,3-dimethyl-5-nitro-
  • m-Xylene, 5-nitro- (8CI)

Registry Numbers

CAS Registry Number

  • 99-12-7

FDA UNII

  • 5HVW2QTF0D

System Generated Number

  • 0000099127

Structure Descriptors

InChI

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

InChIKey

BYFNZOKBMZKTSC-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 75 deg C   EXP
Boiling Point 274 deg C   EXP
log P (octanol-water) 2.910 (none)   EST
Atmospheric OH Rate Constant 1.43E-12 cm3/molecule-sec 25 EST

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