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Substance Name: Benzoic acid, 2-chloro-5-nitro-
RN: 2516-96-3
InChIKey: QUEKGYQTRJVEQC-UHFFFAOYSA-N

Molecular Formula

  • C7-H4-Cl-N-O4

Molecular Weight

  • 201.565
 
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Names and Synonyms

Synonyms

  • 2-Chloro-5-nitrobenzoic acid
  • 6-Chloro-3-nitrobenzoic acid
  • AI3-16578
  • EC 219-739-7
  • EINECS 219-739-7
  • NSC 8441

Systematic Names

  • 2-Chloro-5-nitrobenzoic acid
  • Benzoic acid, 2-chloro-5-nitro-

Registry Numbers

CAS Registry Number

  • 2516-96-3

System Generated Number

  • 0002516963

Structure Descriptors

InChI

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

InChIKey

QUEKGYQTRJVEQC-UHFFFAOYSA-N

Smiles

c1(cc(ccc1Cl)[N+](=O)[O-])C(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 166.5 deg C   EXP
pKa Dissociation Constant 2.17 (none) 25 EXP
log P (octanol-water) 2.03 (none)   EXP
Water Solubility 3600 mg/L 15 EXP
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.