Theobromine CAS#: 83-67-0; ChemWhat Code: 123001
Names & Identifiers |
| Product Name | Theobromine |
| Synonyms | 3,7-dihydro-3,7-dimethyl-1h-purine-6-dione;3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione;3,7-dimethyl-xanthin;6-dione,3,7-dihydro-3,7-dimethyl-1H-Purine-2;Diurobromine;Santheose;SC 15090;sc15090 |
| CAS Registry Number | 83-67-0 |
| Molecular Formula | C7H8N4O2 |
| Molecular Weight | 180.16 |
| EINECS | 201-494-2 |
| Other Registry Numbers | ; |
| More Identifiers on PubChem | IUPA Names, InChI, InChI Key, Canonical SMILES, etc. |
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Chemical & Physical Properties |
| Melting point | 345-350 °C |
| Density | 1.50 |
| FEMA | 3591 | THEOBROMINE |
| Flash Point | 290-295°C |
| Storage | Refrigerator |
| Solubulity | H2O: slightly soluble |
| pka | 7.89(at 18℃) |
| form | solid |
| Color | white |
| Water Solubility | slightly soluble, <0.1 g/100 mL at 18 ºC |
| Sublimation | 290-295 ºC |
| Merck | 14,9282 |
| BRN | 16464 |
| More Properties From PubChem | Topological Polar Surface Area, Monoisotopic Mass, etc. |
| NIST Chemistry Reference | 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-(83-67-0) |
| EPA Substance Registry System | 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-(83-67-0) |
Safety & Hazards(Codes & Phrases) |
| Hazard Codes | Xn,Xi,T,F |
| R Phrase | 22-36/37/38-39/23/24/25-23/24/25-11 |
| S Phrase | 22-24/25-36-26-45-36/37-16-7 |
| RIDADR | UN1230 – class 3 – PG 2 – Methanol, solution |
| WGK Germany | 1 |
| RTECS | XH2275000 |
| F | 10-23 |
| TSCA | Yes |
| Hazardous Substances Data | 83-67-0(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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