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Substance Name: Chlorosalicylanilide
RN: 4638-48-6
UNII: QI22Q9QE3I
InChIKey: KGYNGVVNFRUOOZ-UHFFFAOYSA-N

Molecular Formula

  • C13-H10-Cl-N-O2

Molecular Weight

  • 247.68
 
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Names and Synonyms

Name of Substance

  • Chlorosalicylanilide

Synonyms

  • 3-12-00-00945 (Beilstein Handbook Reference)
  • 5-Chlorosalicylanilide
  • AI3-50091
  • BRN 2216133
  • EINECS 225-065-4
  • Salicylanilide, 5-chloro-
  • UNII-QI22Q9QE3I
  • WR 13084

Systematic Names

  • 5-Chlorosalicylanilide
  • Benzamide, 5-chloro-2-hydroxy-N-phenyl-

Superlist Name

  • 5-Chlorosalicyclanilide

Registry Numbers

CAS Registry Number

  • 4638-48-6

FDA UNII

  • QI22Q9QE3I

System Generated Number

  • 0004638486

Structure Descriptors

InChI

1S/C13H10ClNO2/c14-9-6-7-12(16)11(8-9)13(17)15-10-4-2-1-3-5-10/h1-8,16H,(H,15,17)

InChIKey

KGYNGVVNFRUOOZ-UHFFFAOYSA-N

Smiles

c1c(cc(C(=O)Nc2ccccc2)c(c1)O)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 211 deg C   EXP
pKa Dissociation Constant 6.17 (none) 25 EXP
log P (octanol-water) 4.05 (none)   EXP
Water Solubility 32.2 mg/L 25 EST
Vapor Pressure 5.90E-09 mm Hg 25 EST
Henry's Law Constant 1.19E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.14E-11 cm3/molecule-sec 25 EST

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