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 Name | 1H-Indole-3-carboxylic acid, 2-chloro-1-methyl- |
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| CAS Number | 54778-21-1 | Molecular Weight | 209.62900 |
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| Density | 1.39g/cm3 | Boiling Point | 407.7ºC at 760 mmHg |
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| Molecular Formula | C10H8ClNO2 | Melting Point | / |
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| MSDS | / | Flash Point | 200.4ºC |
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Names
| Name | 2-chloro-1-methylindole-3-carboxylic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.39g/cm3 |
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| Boiling Point | 407.7ºC at 760 mmHg |
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| Molecular Formula | C10H8ClNO2 |
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| Molecular Weight | 209.62900 |
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| Flash Point | 200.4ºC |
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| Exact Mass | 209.02400 |
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| PSA | 42.23000 |
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| LogP | 2.52990 |
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| Index of Refraction | 1.631 |
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| InChIKey | AQPMLAXHNBHLTF-UHFFFAOYSA-N |
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| SMILES | Cn1c(Cl)c(C(=O)O)c2ccccc21 |
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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 DATAACUTE 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
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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 |