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59-43-8

Name Thiamine chloride
CAS 59-43-8
EINECS(EC#) 200-425-3
Molecular Formula C12H17ClN4OS
MDL Number MFCD00044586
Molecular Weight 300.81
MOL File 59-43-8.mol

Chemical Properties

Melting point  248 °C (decomp)
density  1.3175 (rough estimate)
refractive index  1.5630 (estimate)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  DMSO : 6 mg/mL (19.95 mM)
form  Solid
color  White to off-white
InChI InChI=1S/C12H17N4OS.ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1
InChIKey MYVIATVLJGTBFV-UHFFFAOYSA-M
SMILES O([H])CCC1=C(C)[N+](=CS1)CC1C=NC(=NC=1N)C.[Cl-]
LogP -3.930 (est)
CAS DataBase Reference 59-43-8(CAS DataBase Reference)
EPA Substance Registry System 59-43-8(EPA Substance)

Safety Data

Safety Profile
Poison by subcutaneous and intravenous routes. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits very toxic fumes of NOx, SOx, and Cl-.
Hazardous Substances Data 59-43-8(Hazardous Substances Data)

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Hazard Information

Material Safety Data Sheet(MSDS)

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