Introduction：Basic information about CAS 113504-93-1|3,4-Methylenedioxyphenyl isothiocyanate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3,4-Methylenedioxyphenyl isothiocyanate |
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| CAS Number | 113504-93-1 | Molecular Weight | 179.19600 |
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| Density | 1.37 g/cm3 | Boiling Point | 311.2ºC at 760 mmHg |
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| Molecular Formula | C8H5NO2S | Melting Point | 57ºC |
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| MSDS | USA | Flash Point | 142ºC |
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Names
| Name | 3,4-Methylenedioxyphenyl isothiocyanate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.37 g/cm3 |
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| Boiling Point | 311.2ºC at 760 mmHg |
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| Melting Point | 57ºC |
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| Molecular Formula | C8H5NO2S |
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| Molecular Weight | 179.19600 |
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| Flash Point | 142ºC |
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| Exact Mass | 179.00400 |
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| PSA | 62.91000 |
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| LogP | 2.14960 |
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| Vapour Pressure | 0.00104mmHg at 25°C |
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| Index of Refraction | 1.646 |
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| InChIKey | UVVSPZKAEJHDCY-UHFFFAOYSA-N |
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| SMILES | S=C=Nc1ccc2c(c1)OCO2 |
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| Storage condition | Keep cold |
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Safety Information
| Hazard Codes | T: Toxic;Xi: Irritant; |
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| Risk Phrases | R20/21/22 |
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| Safety Phrases | 26-36/37/39 |
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| RIDADR | UN 2811 |
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| HS Code | 2932999099 |
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Customs
| HS Code | 2932999099 |
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| Summary | 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| MFCD00066321 |
| 5-isothiocyanato-1,3-benzodioxole |
