Introduction：Basic information about CAS 2131-63-7|Benzoic acid,3-isothiocyanato-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Benzoic acid,3-isothiocyanato- |
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| CAS Number | 2131-63-7 | Molecular Weight | 179.19600 |
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| Density | 1.27g/cm3 | Boiling Point | 381.2ºC at 760mmHg |
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| Molecular Formula | C8H5NO2S | Melting Point | 165 °C |
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| MSDS | / | Flash Point | 184.4ºC |
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Names
| Name | 3-isothiocyanatobenzoic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.27g/cm3 |
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| Boiling Point | 381.2ºC at 760mmHg |
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| Melting Point | 165 °C |
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| Molecular Formula | C8H5NO2S |
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| Molecular Weight | 179.19600 |
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| Flash Point | 184.4ºC |
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| Exact Mass | 179.00400 |
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| PSA | 81.75000 |
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| LogP | 2.11910 |
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| Vapour Pressure | 1.72E-06mmHg at 25°C |
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| Index of Refraction | 1.612 |
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| InChIKey | PJRBPKOOGLKPFB-UHFFFAOYSA-N |
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| SMILES | O=C(O)c1cccc(N=C=S)c1 |
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Safety Information
| Hazard Codes | T+ |
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| Risk Phrases | R20/22;R36/37/38 |
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| Safety Phrases | S26-S36/37/39 |
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| RIDADR | 2811 |
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| Packaging Group | III |
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| Hazard Class | 6.1 |
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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
| m-carboxyphenyl isothiocyanate |
| 3-isothiocyanato-benzoic acid |
| 3-Carboxy-phenylisothiocyanat |
| 3-Isothiocyanato-benzoesaeure |
| 3-Thiocarbonylamino-benzoesaeure |
| Benzoic acid,3-isothiocyanato |
| MFCD00041367 |
| 3-Carboxyphenyl isothiocyanate |
