117490-40-1

Name Theobromine-D6
CAS 117490-40-1
Molecular Formula C7H2D6N4O2
MDL Number MFCD09952291
MOL File 117490-40-1.mol
show more

Chemical Properties

Appearance White Solid
Melting point  >300°C
storage temp.  Hygroscopic, Refrigerator, Under Inert Atmosphere
solubility  DMSO (Slightly, Heated), Methanol (Very Slightly, Heated)
form  Solid
color  White to Off-White
Stability: Hygroscopic
InChI 1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)/i1D3,2D3
InChIKey YAPQBXQYLJRXSA-WFGJKAKNSA-N
SMILES [2H]C([2H])([2H])N1C(=O)NC(=O)c2c1ncn2C([2H])([2H])[2H]
CAS DataBase Reference 117490-40-1

Safety Data

Hazard Codes  Xn
Risk Statements 
WGK Germany  1
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2

Hazard Information

Supplier

Related Products

Send Inquriy