13602-12-5

Name Pyridine-4-carboxylic acid N-oxide
CAS 13602-12-5
EINECS(EC#) 237-086-6
Molecular Formula C6H5NO3
MDL Number MFCD00006209
Molecular Weight 139.11
MOL File 13602-12-5.mol
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Chemical Properties

Appearance white to beige or yellow crystalline powder
Melting point  270-271 °C(lit.)
Boiling point  255.04°C (rough estimate)
density  1.4429 (rough estimate)
refractive index  1.5423 (estimate)
storage temp.  2-8°C
form  powder to crystal
pka 3.66±0.10(Predicted)
color  White to Light yellow to Light red
BRN  119571
InChI InChI=1S/C6H5NO3/c8-6(9)5-1-3-7(10)4-2-5/h1-4H,(H,8,9)
InChIKey QCWTWMJMLSKQCJ-UHFFFAOYSA-N
SMILES C1[N+]([O-])=CC=C(C(O)=O)C=1
LogP -1.520 (est)
CAS DataBase Reference 13602-12-5(CAS DataBase Reference)
EPA Substance Registry System 13602-12-5(EPA Substance)

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
TSCA  Yes
HS Code  2933399990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

Material Safety Data Sheet(MSDS)

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