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| CAS No.: | 6602-28-4 |
|---|---|
| Name: | 3-Pyridinol N-oxide |
| Article Data: | 12 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H5 N O2 |
| Molecular Weight: | 111.1 |
| Synonyms: | 1-Oxopyridin-3-ol;3-Hydroxypyridine 1-oxide; 3-Hydroxypyridine N-oxide; 3-Hydroxypyridine oxide;3-Pyridinol N-oxide; NSC 21399 |
| EINECS: | 229-545-4 |
| Density: | 1.24 g/cm3 |
| Melting Point: | 189-192 ºC |
| Boiling Point: | 387.7 °C at 760 mmHg |
| Flash Point: | 188.3 °C |
| Appearance: | Light-yellow crystals |
| Hazard Symbols: |
|
| Risk Codes: | R20/21/22;R36/37/38;R40 |
| Safety: | S7/8;S26;S27;S36/37/39 |
| PSA: | 45.69000 |
| LogP: | 0.82070 |
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Chemistry
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
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. |
Safety Profile
Hazard Codes: 
Xn
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
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.