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Substance Name: Methyl 3,5-dinitrobenzoate
RN: 2702-58-1
InChIKey: WEUVWLHWKLGWBJ-UHFFFAOYSA-N

Molecular Formula

  • C8-H6-N2-O6

Molecular Weight

  • 226.143
 
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Names and Synonyms

Synonyms

  • EINECS 220-289-9
  • Methyl 3,5-dinitrobenzoate
  • NSC 7317

Systematic Names

  • Benzoic acid, 3,5-dinitro-, methyl ester (8CI)(9CI)
  • Methyl 3,5-dinitrobenzoate

Registry Numbers

CAS Registry Number

  • 2702-58-1

System Generated Number

  • 0002702581

Structure Descriptors

InChI

1S/C8H6N2O6/c1-16-8(11)6-3-2-5(9(12)13)4-7(6)10(14)15/h2-4H,1H3

InChIKey

WEUVWLHWKLGWBJ-UHFFFAOYSA-N

Smiles

c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1C(=O)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 107-109 deg C   EXP
log P (octanol-water) 1.84 (none)   EXP
Water Solubility 349 mg/L 25 EST
Vapor Pressure 1.91E-05 mm Hg 25 EST
Henry's Law Constant 5.40E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.21E-13 cm3/molecule-sec 25 EST

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