Introduction：Basic information about CAS 1313404-68-0|4-(4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-(4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid |
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| CAS Number | 1313404-68-0 | Molecular Weight | 274.663 |
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| Density | 1.6±0.1 g/cm3 | Boiling Point | 430.3±45.0 °C at 760 mmHg |
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| Molecular Formula | C12H7ClN4O2 | Melting Point | / |
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| MSDS | / | Flash Point | 214.1±28.7 °C |
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Names
| Name | 4-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.6±0.1 g/cm3 |
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| Boiling Point | 430.3±45.0 °C at 760 mmHg |
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| Molecular Formula | C12H7ClN4O2 |
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| Molecular Weight | 274.663 |
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| Flash Point | 214.1±28.7 °C |
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| Exact Mass | 274.025757 |
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| PSA | 80.90000 |
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| LogP | 1.91 |
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| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
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| Index of Refraction | 1.761 |
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| InChIKey | XISKCOLDQXGGJE-UHFFFAOYSA-N |
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| SMILES | O=C(O)c1ccc(-n2ncc3c(Cl)ncnc32)cc1 |
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Safety Information
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
| Benzoic acid, 4-(4-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)- |
| 4-(4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid |
