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
  • 4-(4-Chloro-3-methylphenoxy)piperidine hydrochloride
  • 3-Chloro-1-{4-[(oxolan-2-yl)methyl]piperazin-1-yl}propan-1-one
  • 2-Chloro-1-{4-[(oxolan-2-yl)methyl]piperazin-1-yl}propan-1-one
  • 1,4-Di-tert-butyl-2-fluorobenzene
  • 2-[(2-Aminophenyl)amino]-3-phenylpropan-1-ol
  • 2-Methylindolizine-3-carboxylic acid
  • 2-Chloro-6-(4-methoxyphenylsulfonyl)pyridine
  • rac-(3R,4S)-4-tert-butyloxolan-3-ol
  • Methyl 2-mercapto-4-methylbenzoate
  • 2-Amino-6-(3-bromo-benzyl)-3-methyl-3H-pyrimidin-4-one
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