1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-

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Names

[ Name ]:
1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-

[Synonym ]:
2-Chloro-1-methyl-1,3-benzodiazole
2-Chloro-1-methyl-1H-benzoimidazole
1-methyl-2-chloroindole-3-carboxylic acid
1-methyl-2-chlorobenzimidazole
2-chloro-1-methyl-1H-benzimidazole
2-chloro-1-methyl-benzimidazole
1-methyl-2-chlorobenzoimidazole
2-Chlor-1-methylindol-3-carbonsaeure
1-methyl-2-chloro-1H-benzoimidazole
2-chloro-1-methyl-1H-indole-3-carboxylic acid
2-chloro-N-methylbenzimidazole
2-chloro-1-methyl-indole-3-carboxylic acid

Chemical & Physical Properties

[ Density]:
1.39g/cm3

[ Boiling Point ]:
407.7ºC at 760 mmHg

[ Molecular Formula ]:
C₁₀H₈ClNO₂

[ Molecular Weight ]:
209.62900

[ Flash Point ]:
200.4ºC

[ Exact Mass ]:
209.02400

[ PSA ]:
42.23000

[ LogP ]:
2.52990

[ Index of Refraction ]:
1.631

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NL5998501

CHEMICAL NAME :: 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-

CAS REGISTRY NUMBER :: 54778-21-1

BEILSTEIN REFERENCE NO. :: 0476383

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C10-H8-Cl-N-O2

MOLECULAR WEIGHT :: 209.64

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

2-CHLORO-1-METHYL-1H-INDOLE-3-CARBALDEHYDE
2,3-Dihydro-1-methylindol-2-one
2-Chloro-1H-indole-3-carbaldehyde

DownStream

2-Chloro-1-methyl-1H-indole-3-carbonyl chloride
methyl 2-chloro-1-methylindole-3-carboxylate

Related Compounds

methyl 2-chloro-1-methylindole-3-carboxylate
2-Chloro-1-phenyl-1H-indole-3-carboxylic acid
1H-Indole-3-carboxylicacid, 2-chloro-1-hexyl-
1H-Indole-3-carboxylicacid, 2-chloro-1-(2-methylpropyl)-
2-Chloro-5-methoxy-1-methyl-1H-indole-3-carboxylic acid
1-CHLOROACETYL-4-(3-CHLORO-5-(TRIFLUOROMETHYL)PYRID-2-YL)PIPERAZINE
4-cyano-N-(2-hydroxy-2-(4-(thiophen-3-yl)phenyl)ethyl)benzenesulfonamide
N1-(2-hydroxy-2-(4-(thiophen-3-yl)phenyl)ethyl)-N2-(thiophen-2-ylmethyl)oxalamide
N1-(2-cyanophenyl)-N2-(2-hydroxy-2-(4-(thiophen-3-yl)phenyl)ethyl)oxalamide
N1-(2,3-dimethylphenyl)-N2-(2-hydroxy-2-(4-(thiophen-3-yl)phenyl)ethyl)oxalamide
N1-(2-hydroxy-2-(4-(thiophen-3-yl)phenyl)ethyl)-N2-(2-(methylthio)phenyl)oxalamide
(4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyloctahydro-2H-pyrano[3,2-c]pyridin-8-amine
N1-(3-chloro-2-methylphenyl)-N2-(2-hydroxy-2-(4-(thiophen-3-yl)phenyl)ethyl)oxalamide
N-(3-chloro-4-fluorophenyl)-N'-{2-hydroxy-2-[4-(thiophen-3-yl)phenyl]ethyl}ethanediamide
N1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N2-(2-hydroxy-2-(4-(thiophen-3-yl)phenyl)ethyl)oxalamide
N1-(benzo[d][1,3]dioxol-5-ylmethyl)-N2-(2-hydroxy-2-(4-(thiophen-3-yl)phenyl)ethyl)oxalamide

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