2398-81-4

Name Nicotinic acid N-oxide
CAS 2398-81-4
EINECS(EC#) 219-265-0
Molecular Formula C6H5NO3
MDL Number MFCD00006201
Molecular Weight 139.11
MOL File 2398-81-4.mol
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Chemical Properties

Appearance BEIGE FINE CRYSTALLINE POWDER
Melting point  254-255 °C (dec.)(lit.)
Boiling point  255.04°C (rough estimate)
density  1.4429 (rough estimate)
refractive index  1.5423 (estimate)
storage temp.  Inert atmosphere,Room Temperature
solubility  benzene: insoluble
form  Fine Crystalline Powder
pka 3.19±0.10(Predicted)
color  Beige
Merck  6941
BRN  115860
InChI InChI=1S/C6H5NO3/c8-6(9)5-2-1-3-7(10)4-5/h1-4H,(H,8,9)
InChIKey FJCFFCXMEXZEIM-UHFFFAOYSA-N
SMILES C1[N+]([O-])=CC=CC=1C(O)=O
CAS DataBase Reference 2398-81-4(CAS DataBase Reference)
NIST Chemistry Reference 3-Pyridinecarboxylic acid, 1-oxide(2398-81-4)
EPA Substance Registry System 2398-81-4(EPA Substance)

Safety Data

Hazard Codes  Xn,Xi
Risk Statements 
R20/21:Harmful by inhalation and in contact with skin .
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
TSCA  TSCA listed
REACH Registrations Active
HS Code  29333999
Storage Class 11 - Combustible Solids

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