1986-81-8

Name Nicotinamide-N-oxide
CAS 1986-81-8
EINECS(EC#) 217-859-4
Molecular Formula C6H6N2O2
MDL Number MFCD00006202
Molecular Weight 138.12
MOL File 1986-81-8.mol
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Chemical Properties

Appearance WHITE TO SLIGHTLY YELLOW FLUFFY CRYST. NEEDLES
Melting point  291-293 °C (dec.)(lit.)
Boiling point  253.51°C (rough estimate)
density  1.3471 (rough estimate)
refractive index  1.5100 (estimate)
storage temp.  Inert atmosphere,Room Temperature
solubility  DMSO (Slightly, Heated), Methanol (Slightly, Heated)
form  Solid
pka 14.38±0.50(Predicted)
color  White to Off-White
Sensitive  Hygroscopic
Detection Methods HPLC,NMR
Major Application pharmaceutical small molecule
InChI 1S/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9)
InChIKey USSFUVKEHXDAPM-UHFFFAOYSA-N
SMILES NC(=O)c1ccc[n+]([O-])c1
CAS DataBase Reference 1986-81-8(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
HS Code  29339900
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

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