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7-chloro-1H-indole-2-carboxylic acid

7-chloro-1H-indole-2-carboxylic acid Structure
7-chloro-1H-indole-2-carboxylic acid
  • CAS No.28899-75-4
  • Chemical Name:7-chloro-1H-indole-2-carboxylic acid
  • CBNumber:CB9895577
  • Molecular Formula:C9H6ClNO2
  • Formula Weight:195.6
  • MOL File:28899-75-4.mol
7-chloro-1H-indole-2-carboxylic acid Property
  • Boiling point 449.7±25.0 °C(Predicted)
  • Density 1.548±0.06 g/cm3(Predicted)
  • storage temp. under inert gas (nitrogen or Argon) at 2–8 °C
  • pka 4.23±0.30(Predicted)
  • form solid
  • InChI InChI=1S/C9H6ClNO2/c10-6-3-1-2-5-4-7(9(12)13)11-8(5)6/h1-4,11H,(H,12,13)
  • InChIKey NVKAHBFPKVINGE-UHFFFAOYSA-N
  • SMILES N1C2=C(C=CC=C2Cl)C=C1C(O)=O
  • UNSPSC Code 12352106
Safety
  • HazardClass  :IRRITANT
  • HS Code  :2933998090
Hazard and Precautionary Statements (GHS)
  • Symbol(GHS)
  • Signal wordWarning
  • Hazard statements H315-H319-H335-H302
  • Precautionary statements P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

7-chloro-1H-indole-2-carboxylic acid Chemical Properties,Usage,Production

  • Uses 7-chloro-1H-indole-2-carboxylic acid is an important pharmaceutical intermediate compound used in the preparation of protease inhibitors.
  • Synthesis A mixture of 111.5 g of 7-chloroindole-2-carboxylate in 31.25 g of 96percent sodium hydroxide in 183 ml of methanol and 183 ml of water were heated under reflux for 1 hour, cooled to 45 ° C, and 10 percent hydrochloric acid was added dropwise to a pH of 3 to 4. The mixture was sufficiently cooled to obtain 89.7 g of product as an off-white 7-chloro-1H-indole-2-carboxylic acid.
7-chloro-1H-indole-2-carboxylic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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7-chloro-1H-indole-2-carboxylic acid Spectrum
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