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Substance Name: 1,2-Benzenedicarboxylic acid, 3-nitro-
RN: 603-11-2
InChIKey: KFIRODWJCYBBHY-UHFFFAOYSA-N

Molecular Formula

  • C8-H5-N-O6

Molecular Weight

  • 211.128
 
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Names and Synonyms

Synonyms

  • 3-Nitrophthalic acid
  • AI3-02074
  • EINECS 210-030-8
  • NSC 3120

Systematic Names

  • 1,2-Benzenedicarboxylic acid, 3-nitro-
  • 3-Nitrophthalic acid
  • Phthalic acid, 3-nitro- (8CI)

Registry Numbers

CAS Registry Number

  • 603-11-2

Other Registry Number

  • 46381-03-7

System Generated Number

  • 0000603112

Structure Descriptors

InChI

1S/C8H5NO6/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13)

InChIKey

KFIRODWJCYBBHY-UHFFFAOYSA-N

Smiles

O=C(O)c1c(c([N+]([O-])=O)ccc1)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 214 dec deg C   EXP
log P (octanol-water) 0.75 (none)   EXP
Water Solubility 2.01E+04 mg/L 25 EXP
Vapor Pressure 1.82E-07 mm Hg 25 EST
Henry's Law Constant 8.61E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.06E-12 cm3/molecule-sec 25 EST

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