Introduction：Basic information about CAS 832-66-6|1,3,7,8-Tetramethylxanthine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,3,7,8-Tetramethylxanthine |
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| CAS Number | 832-66-6 | Molecular Weight | 208.217 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 410.7±37.0 °C at 760 mmHg |
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| Molecular Formula | C9H12N4O2 | Melting Point | / |
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| MSDS | / | Flash Point | 202.2±26.5 °C |
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Names
| Name | 1,3,7,8-Tetramethylxanthine |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 410.7±37.0 °C at 760 mmHg |
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| Molecular Formula | C9H12N4O2 |
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| Molecular Weight | 208.217 |
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| Flash Point | 202.2±26.5 °C |
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| Exact Mass | 208.096024 |
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| PSA | 61.82000 |
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| LogP | -0.94 |
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| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
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| Index of Refraction | 1.659 |
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| InChIKey | LFHHOHMIVKIHMG-UHFFFAOYSA-N |
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| SMILES | Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- ZD9220000
- CHEMICAL NAME :
- Xanthine, 1,3,7,8-tetramethyl-
- CAS REGISTRY NUMBER :
- 832-66-6
- BEILSTEIN REFERENCE NO. :
- 0220502
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H12-N4-O2
- MOLECULAR WEIGHT :
- 208.25
- WISWESSER LINE NOTATION :
- T56 BN DN FNVNVJ C1 D1 F1 H1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#09192
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Safety Information
Synonyms
| 1,3,7,8-Tetramethyl-3,7-dihydro-1H-purine-2,6-dione |
| 1,3,7,8-tetramethylpurine-2,6-dione |
| 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7,8-tetramethyl- |
