Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-
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Purity: 98.0%
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54778-21-1

54778-21-1 structure

54778-21-1 structure

Name: 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-
Chemical Name: 2-chloro-1-methylindole-3-carboxylic acid
CAS Number: 54778-21-1
Molecular Formula: C₁₀H₈ClNO₂
Molecular Weight: 209.62900
Create Date: 2018-04-18 08:00:00
Modify Date: 2024-01-13 15:19:09

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

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

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

24279-74-1 structure

24279-74-1

~80%

54778-21-1 structure

54778-21-1

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

61-70-1 structure

61-70-1

~%

54778-21-1 structure

54778-21-1

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

5059-30-3 structure

5059-30-3

~%

54778-21-1 structure

54778-21-1

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

Precursor 3
24279-74-1 61-70-1 5059-30-3
DownStream 2
67342-12-5 65610-50-6