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Substance Name: 2-Chloro-3-nitrobenzoic acid
RN: 3970-35-2
InChIKey: JRQDVRIQJJPHEQ-UHFFFAOYSA-N

Molecular Formula

  • C7-H4-Cl-N-O4

Molecular Weight

  • 201.5646
 
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Names and Synonyms

Synonyms

  • EINECS 223-590-3
  • NSC 92742

Systematic Name

  • 2-Chloro-3-nitrobenzoic acid

Registry Numbers

CAS Registry Number

  • 3970-35-2

System Generated Number

  • 0003970352

Structure Descriptors

InChI

1S/C7H4ClNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)

InChIKey

JRQDVRIQJJPHEQ-UHFFFAOYSA-N

Smiles

c1cc(c(c(c1)[N+](=O)[O-])Cl)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 183.5 deg C   EXP
pKa Dissociation Constant 2.2 (none) 25 EXP
log P (octanol-water) 1.990 (none)   EST
Water Solubility 347 mg/L 25 EST
Vapor Pressure 1.89E-05 mm Hg 25 EST
Henry's Law Constant 3.17E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.83E-13 cm3/molecule-sec 25 EST

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