54778-22-2

54778-22-2 structure
54778-22-2 structure
  • Name: 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid
  • Chemical Name: 2-chloro-1-phenylindole-3-carboxylic acid
  • CAS Number: 54778-22-2
  • Molecular Formula: C15H10ClNO2
  • Molecular Weight: 271.69800
  • Create Date: 2017-10-14 16:55:25
  • Modify Date: 2024-04-05 16:16:05

Name 2-chloro-1-phenylindole-3-carboxylic acid
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
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

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

~78%

54778-22-2 structure

54778-22-2

Literature: Aventis Pharmaceuticals Inc. Patent: US2005/54631 A1, 2005 ; Location in patent: Page/Page column 25-26 ;
Precursor  1

DownStream  0