Introduction：Basic information about CAS 16794-68-6|4-methylbenzoyl isothiocyanate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-methylbenzoyl isothiocyanate |
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| CAS Number | 16794-68-6 | Molecular Weight | 177.22300 |
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| Density | 1.11 g/cm3 | Boiling Point | 283.9ºC at 760 mmHg ， 100ºC/1mm Hg |
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| Molecular Formula | C9H7NOS | Melting Point | 100ºC |
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| MSDS | / | Flash Point | 125.5ºC |
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Names
| Name | 4-methylbenzoyl isothiocyanate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.11 g/cm3 |
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| Boiling Point | 283.9ºC at 760 mmHg ， 100ºC/1mm Hg |
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| Melting Point | 100ºC |
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| Molecular Formula | C9H7NOS |
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| Molecular Weight | 177.22300 |
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| Flash Point | 125.5ºC |
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| Exact Mass | 177.02500 |
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| PSA | 61.52000 |
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| LogP | 2.23800 |
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| Vapour Pressure | 0.00307mmHg at 25°C |
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| Index of Refraction | 1.576 |
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| InChIKey | RZCAJUGXEPHWJY-UHFFFAOYSA-N |
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| SMILES | Cc1ccc(C(=O)N=C=S)cc1 |
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Safety Information
| Risk Phrases | R20/21/22 |
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| Safety Phrases | 26-36/37/39 |
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| RIDADR | UN 2810 |
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| HS Code | 2930909090 |
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Customs
| HS Code | 2930909090 |
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| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| Benzoyl isothiocyanate,4-methyl |
| N-<p-Toluoyl>-isothiocyanat |
| p-Toluoyl Isothiocyanat |
| 4-methyl-benzoyl isothiocyanate |
| 4-Methylbenzoylisothiocyanat |
| 4-methyl-1-benzenecarbonyl isothiocyanate |
| p-methylbenzoyl isothiocyanate |
