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Substance Name: 3-Nitroanisole
RN: 555-03-3
UNII: V9920UY61E
InChIKey: WGYFINWERLNPHR-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-N-O3

Molecular Weight

  • 153.136
 
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Names and Synonyms

Name of Substance

  • 3-Nitroanisole

Synonyms

  • 1-Methoxy-3-nitrobenzene
  • 3-Methoxynitrobenzene
  • 3-Nitroanisole
  • CCRIS 2320
  • EINECS 209-079-8
  • m-Methoxynitrobenzene
  • m-Nitroanisole
  • NSC 4956
  • UNII-V9920UY61E

Systematic Names

  • 3-Nitroanisole
  • Anisole, m-nitro- (8CI)
  • Benzene, 1-methoxy-3-nitro-
  • m-Nitroanisole

Superlist Name

  • 3-Nitroanisole

Registry Numbers

CAS Registry Number

  • 555-03-3

FDA UNII

  • V9920UY61E

Other Registry Number

  • 721942-45-6

System Generated Number

  • 0000555033

Structure Descriptors

InChI

1S/C7H7NO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3

InChIKey

WGYFINWERLNPHR-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)OC)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 38.5 deg C   EXP
Boiling Point 258 deg C   EXP
log P (octanol-water) 2.16 (none)   EXP
Water Solubility 500 mg/L 25 EXP
Vapor Pressure 0.019 mm Hg 25 EST
Henry's Law Constant 1.26E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.71E-12 cm3/molecule-sec 25 EST

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