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

Modify Date: 2025-08-25 18:07:12

1H-Indole-3-carboxylic acid, 2-chloro-1-methyl- structure	Common Name	1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-
	CAS Number	54778-21-1	Molecular Weight	209.62900
	Density	1.39g/cm3	Boiling Point	407.7ºC at 760 mmHg
	Molecular Formula	C₁₀H₈ClNO₂	Melting Point	N/A
	MSDS	N/A	Flash Point	200.4ºC

Name	2-chloro-1-methylindole-3-carboxylic acid
Synonym	More Synonyms

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
InChIKey	AQPMLAXHNBHLTF-UHFFFAOYSA-N
SMILES	Cn1c(Cl)c(C(=O)O)c2ccccc21

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

2-CHLORO-1-METH...

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~80%

1H-Indole-3-car...

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Literature: Showalter, H. D. Hollis; Sercel, Anthony D.; Leja, Boguslawa M.; Wolfangel, Craig D.; Ambroso, Linda A.; Elliott, William L.; Fry, David W.; Kraker, Alan J.; Howard, Curtis T.; Lu, Gina H.; Moore, Charles W.; Nelson, James M.; Roberts, Bill J.; Vincent, Patrick W.; Denny, William A.; Thompson, Andrew M. Journal of Medicinal Chemistry, 1997 , vol. 40, # 4 p. 413 - 426

2,3-Dihydro-1-m...

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1H-Indole-3-car...

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2-Chloro-1H-ind...

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1H-Indole-3-car...

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Precursor 3
CAS#:24279-74-1 2-CHLORO-1-METH... CAS#:61-70-1 2,3-Dihydro-1-m... CAS#:5059-30-3 2-Chloro-1H-ind...
DownStream 2
CAS#:67342-12-5 2-Chloro-1-meth... CAS#:65610-50-6 methyl 2-chloro...

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

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

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.