Introduction：Basic information about CAS 3694-57-3|4-METHOXYBENZYL ISOTHIOCYANATE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-METHOXYBENZYL ISOTHIOCYANATE |
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| CAS Number | 3694-57-3 | Molecular Weight | 179.23900 |
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| Density | 1.0872 g/cm³ | Boiling Point | 170-175 °C (16 mmHg) |
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| Molecular Formula | C9H9NOS | Melting Point | / |
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| MSDS | USA | Flash Point | 132-133°C/0.7mm |
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Names
| Name | 4-methoxybenzyl isothiocyanate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.0872 g/cm³ |
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| Boiling Point | 170-175 °C (16 mmHg) |
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| Molecular Formula | C9H9NOS |
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| Molecular Weight | 179.23900 |
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| Flash Point | 132-133°C/0.7mm |
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| Exact Mass | 179.04000 |
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| PSA | 53.68000 |
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| LogP | 2.29800 |
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| Index of Refraction | 1.591-1.598 |
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| InChIKey | IMFQYAJJXFXVMM-UHFFFAOYSA-N |
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| SMILES | COc1ccc(CN=C=S)cc1 |
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| Storage condition | -20°C |
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Safety Information
| Hazard Codes | Xn |
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| Risk Phrases | R36/37/38:Irritating to eyes, respiratory system and skin . R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . |
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| Safety Phrases | S36/37/39-S26 |
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| RIDADR | 2810 |
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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
| 1-(isothiocyanatomethyl)-4-methoxybenzene |
| 4-Methoxybenzyl isothiocyanate |
| MFCD00041117 |
