Introduction：Basic information about CAS 13531-48-1|Methyl 3-cyanobenzoate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Methyl 3-cyanobenzoate |
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| CAS Number | 13531-48-1 | Molecular Weight | 161.157 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 267.2±23.0 °C at 760 mmHg |
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| Molecular Formula | C9H7NO2 | Melting Point | 59-61ºC |
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| MSDS | / | Flash Point | 120.0±9.4 °C |
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Names
| Name | Methyl 3-Cyanobenzoate |
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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 | 267.2±23.0 °C at 760 mmHg |
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| Melting Point | 59-61ºC |
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| Molecular Formula | C9H7NO2 |
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| Molecular Weight | 161.157 |
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| Flash Point | 120.0±9.4 °C |
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| Exact Mass | 161.047684 |
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| PSA | 50.09000 |
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| LogP | 1.82 |
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| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.535 |
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| InChIKey | XPBHWSMZTSSEJE-UHFFFAOYSA-N |
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| SMILES | COC(=O)c1cccc(C#N)c1 |
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Safety Information
| Hazard Codes | Xn:Harmful |
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| Risk Phrases | R20/21/22 |
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| Safety Phrases | S22-S26-S36/37/39 |
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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
| Methyl m-cyanobenzoate |
| MFCD00220156 |
| Benzoic acid, 3-cyano-, methyl ester |
| Methyl 3-cyanobenzoate |
