Introduction：Basic information about CAS 117490-39-8|Theophylline-d6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Theophylline-d6 |
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| CAS Number | 117490-39-8 | Molecular Weight | 186.201 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 454.1±37.0 °C at 760 mmHg |
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| Molecular Formula | C7H2D6N4O2 | Melting Point | / |
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| MSDS | / | Flash Point | 228.4±26.5 °C |
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| Symbol |
GHS02, GHS06, GHS08 | Signal Word | Danger |
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Names
| Name | Theophylline-d6 |
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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 | 454.1±37.0 °C at 760 mmHg |
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| Molecular Formula | C7H2D6N4O2 |
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| Molecular Weight | 186.201 |
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| Flash Point | 228.4±26.5 °C |
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| Exact Mass | 186.102386 |
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| PSA | 72.68000 |
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| LogP | -0.17 |
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| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
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| Index of Refraction | 1.620 |
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| InChIKey | ZFXYFBGIUFBOJW-WFGJKAKNSA-N |
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| SMILES | Cn1c(=O)c2[nH]cnc2n(C)c1=O |
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Safety Information
| Symbol |
GHS02, GHS06, GHS08 |
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| Signal Word | Danger |
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| Hazard Statements | H225-H301 + H311 + H331-H370 |
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| Precautionary Statements | P210-P260-P280-P301 + P310-P311 |
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| RIDADR | UN1230 - class 3 - PG 2 - Methanol, solution |
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Synonyms
| 1,3-bis(trideuteriomethyl)-7H-purine-2,6-dione |
| Theophylline-D6 |
| 1H-Purine-2,6-dione, 3,7-dihydro-1,3-di(methyl-d)- |
| 1,3-Bis[(H)methyl]-3,7-dihydro-1H-purine-2,6-dione |
