Theophylline CAS#: 58-55-9; ChemWhat Code: 52463
Names & Identifiers |
| Product Name | Theophylline |
| Synonyms | 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione;1,3-dimethyl-xanthin;1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-;3,7-dihydro-1,3-dimethyl-1h-purine-6-dione;3h)-dione,1,3-dimethyl-purine-6(1h;6-dione,3,7-dihydro-1,3-dimethyl-1H-Purine-2;accurbron;Acet-theocin |
| CAS Registry Number | 58-55-9 |
| Molecular Formula | C7H8N4O2 |
| Molecular Weight | 180.16 |
| EINECS | 200-385-7 |
| Other Registry Numbers | ; |
| IUPA Names, InChI, InChI Key, Canonical SMILES, etc.: | IUPA Names, InChI, InChI Key, Canonical SMILES, etc. |
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Chemical & Physical Properties |
| Melting point | 271-273 °C |
| Flash Point | 11 °C |
| Storage | 2-8°C |
| Solubulity | 0.1 M HCl: soluble |
| pka | 8.77(at 25℃) |
| form | powder |
| Color | white |
| Water Solubility | 8.3 g/L (20 ºC) |
| Merck | 9285 |
| Stability: | Stable. Incompatible with strong oxidizing agents. |
| More Properties From PubChem | Topological Polar Surface Area, Monoisotopic Mass, etc. |
| NIST Chemistry Reference | 1,3-Dimethylxanthine(58-55-9) |
| EPA Substance Registry System | 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-(58-55-9) |
Safety & Hazards(Codes & Phrases) |
| Hazard Codes | Xn,T,F,Xi |
| R Phrase | 22-39/23/24/25-23/24/25-11-36/37/38 |
| S Phrase | 7-16-36/37-45-36-26-24/25 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 1 |
| RTECS | XH3850000 |
| F | 10-23 |
| TSCA | Yes |
| Storage Class | 6.1(b) |
| Packing Group | III |
| Hazardous Substances Data | 58-55-9(Hazardous Substances Data) |
| More Safety & Hazards From PubChem | Signal, GHS Hazard Statements, Precautionary Statement Codes, etc. |
Literature |
| Literature on PubChem | Synthesis References, Metabolite References, etc. |
Patents |
| Patents on PubChem | Related Patents Of This Product |
Transportation, Storage & Usage |
| Transportation | No Information |
| Storage | No Information |
| Usage | No Information |
Spectral Properties |
| No Information |
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