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:;
|
MSDS |
Theobromine Material Safety Data Sheet
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