Introduction：Basic information about CAS 27018-76-4|1-Benzyl-1H-indole-3-carboxylic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-Benzyl-1H-indole-3-carboxylic acid |
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| CAS Number | 27018-76-4 | Molecular Weight | 251.280 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 496.3±28.0 °C at 760 mmHg |
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| Molecular Formula | C16H13NO2 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 254.0±24.0 °C |
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Names
| Name | 1-benzylindole-3-carboxylic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 496.3±28.0 °C at 760 mmHg |
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| Molecular Formula | C16H13NO2 |
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| Molecular Weight | 251.280 |
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| Flash Point | 254.0±24.0 °C |
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| Exact Mass | 251.094635 |
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| PSA | 42.23000 |
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| LogP | 3.92 |
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| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
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| Index of Refraction | 1.626 |
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| InChIKey | LVYDDRHDOKXFMW-UHFFFAOYSA-N |
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| SMILES | O=C(O)c1cn(Cc2ccccc2)c2ccccc12 |
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| Storage condition | −20°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NL5995800
- CHEMICAL NAME :
- Indole-3-carboxylic acid, 1-benzyl-
- CAS REGISTRY NUMBER :
- 27018-76-4
- BEILSTEIN REFERENCE NO. :
- 0404957
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C16-H13-N-O2
- MOLECULAR WEIGHT :
- 251.30
- WISWESSER LINE NOTATION :
- T56 BNJ B1R& DVQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 180 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03773
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Safety Information
| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | NL5995800 |
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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
| B8875_ALDRICH |
| 1-Benzylindole-3-carboxylic acid |
| INDOLE-3-CARBOXYLIC ACID,1-BENZYL |
| 1H-Indole-3-carboxylic acid, 1-(phenylmethyl)- |
| 1-benzyl-indole-3-carboxylic acid |
| N-benzylindole-3-carboxylic acid |
| 1-Benzyl-1H-indole-3-carboxylic acid |
| MFCD00057094 |
| 1-(phenylmethyl)-1H-indole-3-carboxylic acid |
