Introduction：Basic information about CAS 74409-52-2|1-(3-Chloropropyl)theobromine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-(3-Chloropropyl)theobromine |
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| CAS Number | 74409-52-2 | Molecular Weight | 256.689 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 478.2±51.0 °C at 760 mmHg |
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| Molecular Formula | C10H13ClN4O2 | Melting Point | 145ºC |
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| MSDS | / | Flash Point | 243.0±30.4 °C |
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Names
| Name | 1-(3-Chloropropyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Boiling Point | 478.2±51.0 °C at 760 mmHg |
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| Melting Point | 145ºC |
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| Molecular Formula | C10H13ClN4O2 |
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| Molecular Weight | 256.689 |
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| Flash Point | 243.0±30.4 °C |
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| Exact Mass | 256.072693 |
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| PSA | 61.82000 |
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| LogP | 0.86 |
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| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
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| Index of Refraction | 1.653 |
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| InChIKey | JMOWKXFNJSTXBW-UHFFFAOYSA-N |
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| SMILES | Cn1cnc2c1c(=O)n(CCCCl)c(=O)n2C |
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Safety Information
| Hazard Codes | Xi |
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| Safety Phrases | S22-S24/25 |
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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
| 1H-Purine-2,6-dione, 1-(3-chloropropyl)-3,7-dihydro-3,7-dimethyl- |
| 1-(3-chloropropyl)-3,7-dimethylpurine-2,6-dione |
| 1-(3-Chloropropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| 1-(3-Chloropropyl)theobromine |
