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3-Hydroxypyridine-N-oxide

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Name

3-Hydroxypyridine-N-oxide

EINECS 229-545-4
CAS No. 6602-28-4 Density 1.24 g/cm3
PSA 45.69000 LogP 0.82070
Solubility N/A Melting Point 189-192 ºC
Formula C5H5 N O2 Boiling Point 387.7 °C at 760 mmHg
Molecular Weight 111.1 Flash Point 188.3 °C
Transport Information N/A Appearance Light-yellow crystals
Safety S7/8;S26;S27;S36/37/39 Risk Codes R20/21/22;R36/37/38;R40   
Molecular Structure Molecular Structure of 6602-28-4 (3-Pyridinol N-oxide) Hazard Symbols
Synonyms

1-Oxopyridin-3-ol;3-Hydroxypyridine 1-oxide; 3-Hydroxypyridine N-oxide; 3-Hydroxypyridine oxide;3-Pyridinol N-oxide; NSC 21399

Article Data 12

3-Hydroxypyridine-N-oxide Chemical Properties

IUPAC Name: 1-oxidopyridin-1-ium-3-ol 
Empirical Formula: C5H5NO2
Molecular Weight: 111.0987g/mol
EINECS: 229-545-4 
Structure of 3-Pyridinol, 1-oxide (CAS NO.6602-28-4):

Index of Refraction: 1.554
Molar Refractivity: 28.69 cm3
Molar Volume: 89.5 cm3
Polarizability: 11.37×10-24cm3
Surface Tension: 50 dyne/cm
Density: 1.24 g/cm3
Flash Point: 188.3 °C
Enthalpy of Vaporization: 66.17 kJ/mol
Boiling Point: 387.7 °C at 760 mmHg
Vapour Pressure: 1.45E-06 mmHg at 25°C 
Chemical Properties: light yellow to beige fine crystalline powder 
Product Categories: Pyridines, Pyrimidines, Purines and Pteredines;Pyridines derivates;Heterocyclic Compounds;Pyridines;Pyridine 
Canonical SMILES: C1=CC(=C[N+](=C1)[O-])O
InChI: InChI=1S/C5H5NO2/c7-5-2-1-3-6(8)4-5/h1-4,7H
InChIKey: YMEZKRMAPQIBQH-UHFFFAOYSA-N

3-Hydroxypyridine-N-oxide Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5473mg/kg (5473mg/kg)   Toxicon. Vol. 23, Pg. 815, 1985.

3-Hydroxypyridine-N-oxide Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 20/21/22-36/37/38-40 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R40:Limited evidence of a carcinogenic effect.
Safety Statements: 26-27-36/37/39-7/8-36-22
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S27:Take off immediately all contaminated clothing. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S7:Keep container tightly closed. 
S8:Keep container dry. 
S36:Wear suitable protective clothing. 
S22:Do not breathe dust.
WGK Germany: 3
RTECS: UU7719100

3-Hydroxypyridine-N-oxide Specification

  3-Pyridinol, 1-oxide , its cas register number is 6602-28-4. It also can be called 3-Hydroxypyridine N-oxide ; 3-Hydroxypyridine-1-oxide ; 3-Pyridinol N-oxide ; 5-21-02-00076 (Beilstein Handbook Reference) ; BRN 0107683 ;
 EINECS 229-545-4 ; NSC 21399 . 3-Pyridinol, 1-oxide (CAS NO.6602-28-4) is harmful by inhalation, in contact with skin and if swallowed. It's also irritating to eyes, respiratory system and skin.

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