Introduction：Basic information about CAS 112809-25-3|4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile |
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| CAS Number | 112809-25-3 | Molecular Weight | 184.197 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 412.1±55.0 °C at 760 mmHg |
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| Molecular Formula | C10H8N4 | Melting Point | 69-72ºC |
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| MSDS | / | Flash Point | 203.0±31.5 °C |
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Names
| Name | 4-((1H-1,2,4-Triazol-3-yl)methyl)benzonitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 412.1±55.0 °C at 760 mmHg |
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| Melting Point | 69-72ºC |
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| Molecular Formula | C10H8N4 |
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| Molecular Weight | 184.197 |
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| Flash Point | 203.0±31.5 °C |
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| Exact Mass | 184.074890 |
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| PSA | 65.36000 |
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| LogP | 0.55 |
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| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
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| Index of Refraction | 1.643 |
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| InChIKey | HQLYWHSJALKYOV-UHFFFAOYSA-N |
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| SMILES | N#Cc1ccc(Cn2cncn2)cc1 |
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Safety Information
| Hazard Codes | Xn:Harmful |
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| Risk Phrases | R10;R20/21/22 |
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| Safety Phrases | S16-S22-S36/37/39 |
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| HS Code | 2933990090 |
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Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen 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
| 4-[1-(1,2,4-triazolyl)-methyl]-benzonitrile |
| 4-(1H-1,2,4-Triazol-1-ylmethyl)-benzonitrile |
| Benzonitrile, 4-(1H-1,2,4-triazol-1-ylmethyl)- |
| MFCD07368016 |
| 4-(1H-1,2,4-TRIAZOLYLMETHYL)BENZONITRILE |
| 4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile |
| Letrozole Impurity 3 |
