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

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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

Click to get detail 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-(2,2-dichlorovinyl)aniline
  • Cesium carbonate
  • 2-Chloro-1H-indole-3-carbaldehyde
  • 1,4-Dioxane
  • Sodium chlorite
  • Sodium phosphate monobasic monohydrate
  • 2-Methylbut-2-ene
  • 1-(2,2-dichlorovinyl)-2-nitrobenzene
  • 2-Nitrobenzaldehyde

DownStream

  • 1H-Indole-3-carbonyl chloride, 2-chloro- (9CI)

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

  • 6-bromo-2-chloro-1H-indole-3-carboxylic acid
  • 5-bromo-2-chloro-1H-indole-3-carboxylic acid
  • 2-CHLORO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER
  • 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid
  • 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid (2-morpholin-4-yl-ethyl)-amide; hydrochloride
  • 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid 2-morpholin-4-yl-ethyl ester; hydrochloride