Introduction：Basic information about CAS 5689-33-8|3-(Cyanomethyl)benzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-(Cyanomethyl)benzoic acid |
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| CAS Number | 5689-33-8 | Molecular Weight | 161.157 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 371.6±25.0 °C at 760 mmHg |
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| Molecular Formula | C9H7NO2 | Melting Point | 175-176°C |
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| MSDS | / | Flash Point | 178.6±23.2 °C |
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Names
| Name | 3-(Cyanomethyl)Benzoic Acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 371.6±25.0 °C at 760 mmHg |
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| Melting Point | 175-176°C |
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| Molecular Formula | C9H7NO2 |
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| Molecular Weight | 161.157 |
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| Flash Point | 178.6±23.2 °C |
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| Exact Mass | 161.047684 |
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| PSA | 61.09000 |
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| LogP | 1.13 |
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| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
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| Index of Refraction | 1.580 |
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| InChIKey | DATIHVJZEPOWPT-UHFFFAOYSA-N |
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| SMILES | N#CCc1cccc(C(=O)O)c1 |
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| Storage condition | 2-8°C |
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Safety Information
| Hazard Codes | Xi |
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| HS Code | 2926909090 |
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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
| Benzoic acid, 3-(cyanomethyl)- |
| 3-(Cyanomethyl)benzoic acid |
