Introduction：Basic information about CAS 2879-15-4|8-benzyltheophylline, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 8-benzyltheophylline |
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| CAS Number | 2879-15-4 | Molecular Weight | 270.28700 |
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| Density | 1.335 g/cm3 | Boiling Point | 556.5ºC |
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| Molecular Formula | C14H14N4O2 | Melting Point | 298-300ºC |
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| MSDS | / | Flash Point | 290.4ºC |
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Names
| Name | 8-benzyl-1,3-dimethyl-7H-purine-2,6-dione |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.335 g/cm3 |
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| Boiling Point | 556.5ºC |
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| Melting Point | 298-300ºC |
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| Molecular Formula | C14H14N4O2 |
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| Molecular Weight | 270.28700 |
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| Flash Point | 290.4ºC |
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| Exact Mass | 270.11200 |
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| PSA | 72.68000 |
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| LogP | 0.55110 |
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| Vapour Pressure | 2.02E-12mmHg at 25°C |
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| Index of Refraction | 1.635 |
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| InChIKey | SWKGFZTXWQMFLK-UHFFFAOYSA-N |
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| SMILES | Cn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(C)c1=O |
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| Storage condition | 2-8℃ |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XH4791000
- CHEMICAL NAME :
- Theophylline, 8-benzyl-
- CAS REGISTRY NUMBER :
- 2879-15-4
- LAST UPDATED :
- 199409
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C14-H14-N4-O2
- MOLECULAR WEIGHT :
- 270.32
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 42,36,1952
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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
| 1,3-Dimethyl-8-benzyl-xanthin |
| MFCD00067027 |
| 8-benzyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione |
| 8-benzyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione |
| Theophylline,8-benzyl |
| EINECS 220-725-8 |
| 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-8-(phenylmethyl) |
| 8-Benzyltheophylline |
| 8-Benzyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione |
| 8-benzytheophylline |
| 8-Benzyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion |
