CAS:83-67-0 | 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
Canonical SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C
HS Code: 29399990
Density:1.50
Boiling Point:312.97°C(roughestimate)
Refractive Index:1.6700(estimate)
Flash Point: 290-295°C
Melting Point: 345-350 °C
Storage: Refrigerator
PKA: 7.89(at18℃)
Appearance: solid
Hazard Codes: Xn,Xi,T,F
Risk Statements: 22-36/37/38-39/23/24/25-23/24/25-11
Safety Statements: 22-24/25-36-26-45-36/37-16-7
Transport: UN1230 - class 3 - PG 2 - Methanol, solution
WGK Germany: 1
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