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Substance Name: Benzene, (nitromethyl)- (9CI)
RN: 622-42-4
InChIKey: VLZLOWPYUQHHCG-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-N-O2

Molecular Weight

  • 137.137
 
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Names and Synonyms

Synonyms

  • (Nitromethyl)benzene
  • alpha-Nitrotoluene
  • Nitrophenylmethane (VAN)
  • NSC 3439
  • Phenylnitromethane

Systematic Names

  • Benzene, (nitromethyl)-
  • Benzene, (nitromethyl)- (9CI)
  • Toluene, alpha-nitro- (8CI)

Registry Numbers

CAS Registry Number

  • 622-42-4

System Generated Number

  • 0000622424

Structure Descriptors

InChI

1S/C7H7NO2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2

InChIKey

VLZLOWPYUQHHCG-UHFFFAOYSA-N

Smiles

c1ccccc1C[N+]([O-])=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 226 deg C   EXP
log P (octanol-water) 1.75 (none)   EXP
Water Solubility 1120 mg/L 25 EST
Vapor Pressure 0.076 mm Hg 25 EST
Henry's Law Constant 3.40E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.98E-12 cm3/molecule-sec 25 EST

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