2-Chloro-1-phenyl-1H-indole-3-carboxylic acid

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Names

[ CAS No. ]:
54778-22-2

[ Name ]:
2-Chloro-1-phenyl-1H-indole-3-carboxylic acid

[Synonym ]:
1-Phenyl-2-chloroindole-3-carboxylic acid
2-chloro-1-phenyl-indole-3-carboxylic acid
1H-Indole-3-carboxylic acid,2-chloro-1-phenyl
2-Chlor-1-phenylindol-3-carbonsaeure
2-Chloro-1-phenyl-1H-indole-3-carboxylic acid

Chemical & Physical Properties

[ Density]:
1.33g/cm3

[ Boiling Point ]:
371.2ºC at 760 mmHg

[ Molecular Formula ]:
C15H10ClNO2

[ Molecular Weight ]:
271.69800

[ Flash Point ]:
178.3ºC

[ Exact Mass ]:
271.04000

[ PSA ]:
42.23000

[ LogP ]:
3.98210

[ Index of Refraction ]:
1.651

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL5998504
CHEMICAL NAME :
1H-Indole-3-carboxylic acid, 2-chloro-1-phenyl-
CAS REGISTRY NUMBER :
54778-22-2
BEILSTEIN REFERENCE NO. :
0481979
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C15-H10-Cl-N-O2
MOLECULAR WEIGHT :
271.71

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 20,1344,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 20,1344,1977

Synthetic Route

Precursor & DownStream

Precursor

  • 2-chloro-1-phenyl-indole-3-carbaldehyde

DownStream


Related Compounds

  • 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid 2-morpholin-4-yl-ethyl ester; hydrochloride
  • 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid (2-morpholin-4-yl-ethyl)-amide; hydrochloride
  • 2-chloro-6-methoxy-1-phenyl-1H-indole-3-carboxylic acid
  • 2-Methyl-5-oxiranylmethoxy-1-phenyl-1H-indole-3-carboxylic acid ethyl ester
  • 2-Chloro-1H-indole-3-carboxylic acid
  • 2-phenyl-1H-indole-3-carboxylic acid
  • 1-[(2S)-pyrrolidin-2-yl]ethanol
  • 1-[2-(1,2-Oxazol-3-yl)ethyl]cyclopropan-1-amine
  • tert-butyl N-[2-(3-aminopyridin-4-yl)oxyethyl]carbamate
  • 1-[2-(1,3-Oxazol-5-yl)ethyl]cyclopropan-1-amine
  • 2-Chloro-6-(1-hydroxy-2-propenyl)phenol
  • 1-(1-Isopropyl-1H-pyrazol-3-yl)ethanone
  • 7-Bromo-6-methyl-4-morpholin-4-yl-2-thiophen-2-yl-thieno[3,2-d]pyrimidine
  • 3-(Aminomethyl)-1,5-dimethylpyridin-2(1H)-one
  • 2-(2,4-Dimethoxyphenyl)pyrimidin-4-amine
  • 5-Propoxypyridin-3-amine
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