Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, 3-nitro-, methyl ester
RN: 618-95-1
InChIKey: AXLYJLKKPUICKV-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-N-O4

Molecular Weight

  • 181.1463
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • AI3-08853
  • EINECS 210-573-0
  • m-Nitrobenzoic acid, methyl ester
  • Methyl 3-nitrobenzoate
  • Methyl m-nitrobenzoate
  • NSC 1327

Systematic Names

  • Benzoic acid, 3-nitro-, methyl ester
  • Benzoic acid, m-nitro-, methyl ester (8CI)
  • Methyl 3-nitrobenzoate

Registry Numbers

CAS Registry Number

  • 618-95-1

System Generated Number

  • 0000618951

Structure Descriptors

InChI

1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3

InChIKey

AXLYJLKKPUICKV-UHFFFAOYSA-N

Smiles

COC(=O)c1cccc(c1)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 78 deg C   EXP
log P (octanol-water) 1.89 (none)   EXP
Water Solubility 539 mg/L 25 EST
Vapor Pressure 1.86E-03 mm Hg 25 EST
Henry's Law Constant 1.37E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.96E-13 cm3/molecule-sec 25 EST

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