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
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%