Introduction：Basic information about CAS 51333-80-3|3-(methylthio)phenyl isothiocyanate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-(methylthio)phenyl isothiocyanate |
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| CAS Number | 51333-80-3 | Molecular Weight | 181.27800 |
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| Density | 1.211 g/mL at 25 °C(lit.) | Boiling Point | 306-307 °C(lit.) |
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| Molecular Formula | C8H7NS2 | Melting Point | / |
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| MSDS | / | Flash Point | >230 °F |
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Names
| Name | 3-(methylthio)phenyl isothiocyanate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.211 g/mL at 25 °C(lit.) |
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| Boiling Point | 306-307 °C(lit.) |
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| Molecular Formula | C8H7NS2 |
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| Molecular Weight | 181.27800 |
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| Flash Point | >230 °F |
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| Exact Mass | 181.00200 |
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| PSA | 69.75000 |
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| LogP | 3.14280 |
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| Index of Refraction | n20/D >1.3930(lit.) |
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| InChIKey | IHKAGFVCXPFGRP-UHFFFAOYSA-N |
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| SMILES | CSc1cccc(N=C=S)c1 |
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| Storage condition | Keep Cold |
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Safety Information
| Hazard Codes | Xn,T |
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| Risk Phrases | R20/21/22;R36/37/38 |
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| Safety Phrases | S23-S26-S36 |
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| RIDADR | 2810 |
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| WGK Germany | 3 |
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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
| MFCD00041079 |
| 1-isothiocyanato-3-methylsulfanylbenzene |
| 3-(Methylthio)phenyl isothiocyanate |
