Introduction：Basic information about CAS 704911-47-7|Methyl 5-bromo-1H-1,2,4-triazole-3-carboxylate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Methyl 5-bromo-1H-1,2,4-triazole-3-carboxylate |
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| CAS Number | 704911-47-7 | Molecular Weight | 205.997 |
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| Density | 1.902±0.06 g/cm3 | Boiling Point | 352.1±25.0 °C at 760 mmHg |
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| Molecular Formula | C4H4BrN3O2 | Melting Point | / |
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| MSDS | / | Flash Point | 166.8±23.2 °C |
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Names
| Name | Methyl 5-bromo-4H-[1,2,4]triazole-3-carboxylate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.902±0.06 g/cm3 |
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| Boiling Point | 352.1±25.0 °C at 760 mmHg |
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| Molecular Formula | C4H4BrN3O2 |
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| Molecular Weight | 205.997 |
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| Flash Point | 166.8±23.2 °C |
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| Exact Mass | 204.948685 |
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| PSA | 67.87000 |
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| LogP | 0.76 |
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| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
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| Index of Refraction | 1.586 |
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| InChIKey | GRIBRWPXKUMRDX-UHFFFAOYSA-N |
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| SMILES | COC(=O)c1n[nH]c(Br)n1 |
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| Storage condition | 2-8°C |
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| Water Solubility | Slightly soluble (3.5 g/L) (25 ºC) |
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Safety Information
| Hazard Codes | Xi |
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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
| Methyl 5-bromo-4H-1,2,4-triazole-3-carboxylate |
| 4H-1,2,4-triazole-3-carboxylic acid, 5-bromo-, methyl ester |
| 1H-1,2,4-Triazole-5-carboxylic acid, 3-bromo-, methyl ester |
| methyl 5-bromo-1H-1,2,4-triazole-3-carboxylate |
| Methyl 3-bromo-1H-1,2,4-triazole-5-carboxylate |
| 5-Bromo-1H-1,2,4-triazole-3-carboxylic acid methyl ester |
| Methyl 5-Bromo-1,2,4-triazole-3-carboxylate |
