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Substance Name: Benzoic acid, 2-chloro-4-nitro-
RN: 99-60-5
InChIKey: QAYNSPOKTRVZRC-UHFFFAOYSA-N

Note

  • Has antiviral and antineoplastic activity.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C7-H4-Cl-N-O4

Molecular Weight

  • 201.565
 
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Names and Synonyms

Synonyms

  • 2-Chloro-4-nitrobenzoic acid
  • 4-09-00-01229 (Beilstein Handbook Reference)
  • AI3-33426
  • BRN 1912836
  • EINECS 202-771-0
  • Kyselina 2-chloro-4-nitrobenzoova
  • Kyselina 2-chloro-4-nitrobenzoova [Czech]
  • NSC 150

Systematic Names

  • 2-Chloro-4-nitrobenzoic acid
  • Benzoic acid, 2-chloro-4-nitro-

Superlist Name

  • 2-Chloro-4-nitrobenzoic acid

Registry Numbers

CAS Registry Number

  • 99-60-5

System Generated Number

  • 0000099605

Structure Descriptors

InChI

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

InChIKey

QAYNSPOKTRVZRC-UHFFFAOYSA-N

Smiles

c1(cc(c(C(O)=O)cc1)Cl)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 140 deg C   EXP
pKa Dissociation Constant 2.14 (none)   EXP
log P (octanol-water) 2.03 (none)   EXP
Water Solubility 323 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.