Introduction：Basic information about CAS 54778-20-0|2-Chloro-1H-indole-3-carboxylic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-Chloro-1H-indole-3-carboxylic acid |
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| CAS Number | 54778-20-0 | Molecular Weight | 195.60200 |
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| Density | 1.548 g/cm3 | Boiling Point | 434.4ºC at 760 mmHg |
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| Molecular Formula | C9H6ClNO2 | Melting Point | / |
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| MSDS | / | Flash Point | 216.5ºC |
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Names
| Name | 2-Chloro-1H-indole-3-carboxylic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.548 g/cm3 |
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| Boiling Point | 434.4ºC at 760 mmHg |
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| Molecular Formula | C9H6ClNO2 |
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| Molecular Weight | 195.60200 |
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| Flash Point | 216.5ºC |
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| Exact Mass | 195.00900 |
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| PSA | 53.09000 |
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| LogP | 2.51950 |
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| Index of Refraction | 1.728 |
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| InChIKey | SXIIAHIAZAMFPW-UHFFFAOYSA-N |
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| SMILES | O=C(O)c1c(Cl)[nH]c2ccccc12 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NL5998450
- CHEMICAL NAME :
- 1H-Indole-3-carboxylic acid, 2-chloro-
- CAS REGISTRY NUMBER :
- 54778-20-0
- BEILSTEIN REFERENCE NO. :
- 0391703
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C9-H6-Cl-N-O2
- MOLECULAR WEIGHT :
- 195.61
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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Safety Information
| Hazard Codes | Xn |
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| HS Code | 2933990090 |
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Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 2-chloro-1H-indole-3-carboxylic acid |
