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

Names

[ CAS No. ]:
54778-20-0

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

[Synonym ]:
2-chloro-1H-indole-3-carboxylic acid

Chemical & Physical Properties

[ Density]:
1.548 g/cm3

[ Boiling Point ]:
434.4ºC at 760 mmHg

[ Molecular Formula ]:
C9H6ClNO2

[ Molecular Weight ]:
195.60200

[ Flash Point ]:
216.5ºC

[ Exact Mass ]:
195.00900

[ PSA ]:
53.09000

[ LogP ]:
2.51950

[ Index of Refraction ]:
1.728

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL5998450
CHEMICAL NAME :
1H-Indole-3-carboxylic acid, 2-chloro-
CAS REGISTRY NUMBER :
54778-20-0
BEILSTEIN REFERENCE NO. :
0391703
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H6-Cl-N-O2
MOLECULAR WEIGHT :
195.61

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

Safety Information

[ Hazard Codes ]:
Xn

[ HS Code ]:
2933990090

Synthetic Route

Precursor & DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%


Related Compounds