| product Name |
Theobromine |
| Synonyms |
1H-purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-; 201-494-2; 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione; 3,7-Diméthyl-3,7-dihydro-1H-purine-2,6-dione; 3,7-Dimethyl-xanthine; 5-26-13-00553 (Beilstein Handbook Reference); 83-67-0; Teobromin |
| Molecular Formula |
C7H10N4O2 |
| Molecular Weight |
182.1799 |
| InChI |
InChI=1/C7H10N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3,7,13H,1-2H3,(H,9,12) |
| CAS Registry Number |
83-67-0 |
| EINECS |
201-494-2 |
| Molecular Structure |
|
| Melting point |
290-295℃ |
| Refractive index |
1.737 |
| Water solubility |
slightly soluble, <0.1 g/100 mL at 18℃ |
| Hazard Symbols |
 Xn:Harmful;
|
| Risk Codes |
R22:;
|
| Safety Description |
S22:;
S24/25:;
|
|
