CAS 54778-21-1|1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-

Introduction:Basic information about CAS 54778-21-1|1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-
CAS Number54778-21-1Molecular Weight209.62900
Density1.39g/cm3Boiling Point407.7ºC at 760 mmHg
Molecular FormulaC10H8ClNO2Melting Point/
MSDS/Flash Point200.4ºC

Names

Name2-chloro-1-methylindole-3-carboxylic acid
SynonymMore Synonyms

Chemical & Physical Properties

Density1.39g/cm3
Boiling Point407.7ºC at 760 mmHg
Molecular FormulaC10H8ClNO2
Molecular Weight209.62900
Flash Point200.4ºC
Exact Mass209.02400
PSA42.23000
LogP2.52990
Index of Refraction1.631
InChIKeyAQPMLAXHNBHLTF-UHFFFAOYSA-N
SMILESCn1c(Cl)c(C(=O)O)c2ccccc21

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

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
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