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

Modify Date: 2024-04-05 16:16:05

2-Chloro-1-phenyl-1H-indole-3-carboxylic acid Structure
2-Chloro-1-phenyl-1H-indole-3-carboxylic acid structure
Common Name 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid
CAS Number 54778-22-2 Molecular Weight 271.69800
Density 1.33g/cm3 Boiling Point 371.2ºC at 760 mmHg
Molecular Formula C15H10ClNO2 Melting Point N/A
MSDS N/A Flash Point 178.3ºC

 Names

Name 2-chloro-1-phenylindole-3-carboxylic acid
Synonym More Synonyms

 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

~78%

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

2-Chloro-1-phen...

CAS#:54778-22-2

Literature: Aventis Pharmaceuticals Inc. Patent: US2005/54631 A1, 2005 ; Location in patent: Page/Page column 25-26 ;

 Precursor & DownStream

Precursor  1

DownStream  0

 Synonyms

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