ChemicalBook > Product Catalog >Pharmaceutical intermediates >Heterocyclic compound >7-chloro-1H-indole-2-carboxylic acid

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

7-chloro-1H-indole-2-carboxylic acid Structure
CAS No.
28899-75-4
Chemical Name:
7-chloro-1H-indole-2-carboxylic acid
Synonyms
7-Chloroindole-2-carboxylic acid;1H-Indole-2-carboxylic acid, 7-chloro-;7-chloro-1H-indole-2-carboxylic acid(SALTDATA: FREE)
CBNumber:
CB9895577
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6
MOL File:
28899-75-4.mol
Modify Date:
2024/1/30 10:21:20

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

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
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
HazardClass  IRRITANT
HS Code  2933998090

7-chloro-1H-indole-2-carboxylic acid Chemical Properties,Uses,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(SALTDATA: FREE) 7-Chloroindole-2-carboxylic acid 1H-Indole-2-carboxylic acid, 7-chloro- 28899-75-4