CAS No: 83-67-0, Chemical Name: Theobromine
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83-67-0 Theobromine

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 83-67-0 Theobromine
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:;