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Substance Name: 4-Chloro-2-nitrobenzoic acid
RN: 6280-88-2
InChIKey: JAHIPDTWWVYVRV-UHFFFAOYSA-N

Molecular Formula

  • C7-H4-Cl-N-O4

Molecular Weight

  • 201.565
 
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Names and Synonyms

Synonyms

  • 2-Nitro-4-chlorobenzoic acid
  • 4-Chloro-2-nitrobenzoic acid
  • EINECS 228-483-5
  • NSC 6158

Systematic Names

  • 4-Chloro-2-nitrobenzoic acid
  • Benzoic acid, 4-chloro-2-nitro- (8CI)(9CI)

Registry Numbers

CAS Registry Number

  • 6280-88-2

System Generated Number

  • 0006280882

Structure Descriptors

InChI

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

InChIKey

JAHIPDTWWVYVRV-UHFFFAOYSA-N

Smiles

OC(=O)c1c([N+](=O)[O-])cc(Cl)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 143-145 deg C   EXP
log P (octanol-water) 2.08 (none)   EXP
Water Solubility 293 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 5.64E-13 cm3/molecule-sec 25 EST

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