Introduction：Basic information about CAS 6627-91-4|o-Carboxyphenylacetonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | o-Carboxyphenylacetonitrile |
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| CAS Number | 6627-91-4 | Molecular Weight | 161.15700 |
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| Density | 1.257g/cm3 | Boiling Point | 348.8ºC at 760 mmHg |
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| Molecular Formula | C9H7NO2 | Melting Point | / |
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| MSDS | / | Flash Point | 164.8ºC |
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Names
| Name | 2-(cyanomethyl)benzoic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.257g/cm3 |
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| Boiling Point | 348.8ºC at 760 mmHg |
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| Molecular Formula | C9H7NO2 |
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| Molecular Weight | 161.15700 |
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| Flash Point | 164.8ºC |
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| Exact Mass | 161.04800 |
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| PSA | 61.09000 |
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| LogP | 1.45088 |
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| InChIKey | AGXBHBJDSLZGAP-UHFFFAOYSA-N |
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| SMILES | N#CCc1ccccc1C(=O)O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DG5644450
- CHEMICAL NAME :
- Benzoic acid, 2-(cyanomethyl)-
- CAS REGISTRY NUMBER :
- 6627-91-4
- BEILSTEIN REFERENCE NO. :
- 0472769
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H7-N-O2
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,7,1953
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Safety Information
Customs
| HS Code | 2926909090 |
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| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| 21-Cyan-o-toluyl-saeure |
| 2-Carboxy-phenylacetonitril |
| EINECS 229-602-3 |
| 2-cyanomethyl-benzoic acid |
| MFCD00020293 |
| o-Carboxyphenylacetonitrile |
| o-cyanomethylbenzoic acid |
| 2-Cyanmethyl-benzoesaeure |
