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

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

Product Name:
7-chloro-1H-indole-2-carboxylic acid
Synonyms:
  • 7-chloro-1H-indole-2-carboxylic acid(SALTDATA: FREE)
  • 7-Chloroindole-2-carboxylic acid
  • 1H-Indole-2-carboxylic acid, 7-chloro-
CAS:
28899-75-4
MF:
C9H6ClNO2
MW:
195.6
EINECS:
249-296-5
Mol File:
28899-75-4.mol
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7-chloro-1H-indole-2-carboxylic acid Chemical Properties

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)
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
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Safety Information

HazardClass 
IRRITANT
HS Code 
2933998090
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7-chloro-1H-indole-2-carboxylic acid Usage And Synthesis

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.

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