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Basic Information
| CAS No.: | 694-59-7 |
|---|---|
| Name: | Pyridine-N-oxide |
| Molecular Structure: | |
|
|
|
| Formula: | C5H5NO |
| Molecular Weight: | 95.1008 |
| Synonyms: | PYRIDINE-1-OXIDE;PYRIDINE-N-OXIDE;1-oxidePyridine;Pyridine oxide;pyridineoxide;Pyridin-N-oxid;Pyridine-N-Oxidee;PYRIDINE-1-OXIDE 97% |
| EINECS: | 211-774-6 |
| Density: | 1.03 g/cm3 |
| Melting Point: | 65-66 °C |
| Boiling Point: | 270 °C at 760 mmHg |
| Flash Point: | 117.1 °C |
| Solubility: | Soluble in water |
| Appearance: | White to light yellow solid |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 36/37/38-22-40-20/21/22 |
| Safety: | 26-24/25-37/39-36/37/39-22 |
| PSA: | 25.46000 |
| LogP: | 1.11510 |
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Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| With 2,2,2-Trifluoroacetophenone; dihydrogen peroxide; acetonitrile In tert-butyl alcohol at 20℃; for 18h; pH=11; Catalytic behavior; Solvent; Reagent/catalyst; pH-value; Time; Green chemistry; chemoselective reaction; | 99% |
| With dihydrogen peroxide In water at 59.84℃; for 1.5h; Reagent/catalyst; Autoclave; | 99% |
| With dihydrogen peroxide In water at 20℃; for 4h; Catalytic behavior; | 99% |
Conditions
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide In water at 90℃; for 1h; | 93% |
Conditions
| Conditions | Yield |
|---|---|
| In chloroform; trichlorofluoromethane | A 49% B 30% |
...Expand
Conditions
| Conditions | Yield |
|---|---|
| With perfluoro(cis-2-hexyl-3-pentyloxaziridine) In chloroform; trichlorofluoromethane | A 49% B 30% |
Conditions
| Conditions | Yield |
|---|---|
| In chloroform; trichlorofluoromethane at -60℃; for 0.5h; | A 44% B 33% |
...Expand
- 1121-76-2
4-chloropyridine N-oxide
A
- 694-59-7
pyridine N-oxide
B
- 553-26-4
4,4'-bipyridine
C
- 24573-15-7
4,4'-bipyridine N,N'-dioxide
D
- 39182-30-4
4,4'-bipyridine N-monoxide
Conditions
| Conditions | Yield |
|---|---|
| With benzophenone; sodium In 1,4-dioxane for 12h; Product distribution; K, Li, dianione of potassium benzophenone; | A 35% B 13% C n/a D n/a |
...Expand
Conditions
| Conditions | Yield |
|---|---|
| With pyridine; Oxone; tetrabutylammomium bromide In dichloromethane at 20℃; for 12h; | A n/a B 8% |
Conditions
| Conditions | Yield |
|---|---|
| With diethyl ether |
Conditions
| Conditions | Yield |
|---|---|
| With palladium on activated charcoal; ethanol Hydrogenation; |
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Pyridine-N-oxide
Chemistry
The Molecular formula of PYRIDINE-1-OXIDE(694-59-7): C5H5NO
The Molecular Weight of PYRIDINE-1-OXIDE(694-59-7): 95.1
Molecular Structure:
EINECS: 211-774-6
Melting point: 62-67 °C(lit.)
Boiling Point: 270 °C at 760 mmHg
Flash Point: 117.1 °C
Index of Refraction: 1.516
Molar Refractivity: 27.84 cm3
Molar Volume: 92 cm3
Polarizability: 11.03 10 -24 cm3
Surface Tension: 40.5 dyne/cm
Density: 1.03 g/cm3
Enthalpy of Vaporization: 48.77 kJ/mol
Vapour Pressure: 0.0116 mmHg at 25°C
storage temp.: 2-8°C
Water Solubility: soluble
Sensitive: Hygroscopic
Appearance: White to light yellow solid
Merck: 14,7972
BRN: 105257
IUPAC Name: 1-oxidopyridin-1-ium
Synonyms: PYRIDINE-1-OXIDE;PYRIDINE-N-OXIDE;Pyridin-N-oxid;Pyridine-N-Oxidee;PYRIDINE-1-OXIDE 97%;1-oxidePyridine;Pyridine oxide;pyridineoxide;
The Molecular Weight of PYRIDINE-1-OXIDE(694-59-7): 95.1
Molecular Structure:
EINECS: 211-774-6
Melting point: 62-67 °C(lit.)
Boiling Point: 270 °C at 760 mmHg
Flash Point: 117.1 °C
Index of Refraction: 1.516
Molar Refractivity: 27.84 cm3
Molar Volume: 92 cm3
Polarizability: 11.03 10 -24 cm3
Surface Tension: 40.5 dyne/cm
Density: 1.03 g/cm3
Enthalpy of Vaporization: 48.77 kJ/mol
Vapour Pressure: 0.0116 mmHg at 25°C
storage temp.: 2-8°C
Water Solubility: soluble
Sensitive: Hygroscopic
Appearance: White to light yellow solid
Merck: 14,7972
BRN: 105257
IUPAC Name: 1-oxidopyridin-1-ium
Synonyms: PYRIDINE-1-OXIDE;PYRIDINE-N-OXIDE;Pyridin-N-oxid;Pyridine-N-Oxidee;PYRIDINE-1-OXIDE 97%;1-oxidePyridine;Pyridine oxide;pyridineoxide;
Toxicity Data With Reference
| 1. | ipr-mus LD50:1425 mg/kg | JPPMAB Journal of Pharmacy and Pharmacology. 16 (1964),472. | ||
| 2. | ivn-mus LD50:180 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#04070 . | ||
| 3. | orl-qal LD50:1000 mg/kg | JRPFA4 Journal of Reproduction and Fertility. 48 (1976),371. | ||
| 4. | orl-bwd LD50:1 g/kg | AECTCV Archives of Environmental Contamination and Toxicology. 12 (1983),355. |
Consensus Reports
Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
Safety Profile
Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. Flammable. Potentially explosive reaction with hexamethyldisilane + tetrabutylammonium fluoride. Incompatible with oxidizing materials. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes of PYRIDINE-1-OXIDE(694-59-7): Xi,Xn
Risk Statements of PYRIDINE-1-OXIDE(694-59-7):
22: Harmful if swallowed
40: Limited evidence of a carcinogenic effect
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements of PYRIDINE-1-OXIDE(694-59-7):
22: Do not breathe dust
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 24/25: Avoid contact with skin and eyes
24/25: Avoid contact with skin and eyes
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
37/39: Wear suitable gloves and eye/face protection
WGK Germany: 3
RTECS: UT6410000
F: 21
HS Code: 29333999
Hazard Codes of PYRIDINE-1-OXIDE(694-59-7): Xi,Xn
Risk Statements of PYRIDINE-1-OXIDE(694-59-7):
22: Harmful if swallowed
40: Limited evidence of a carcinogenic effect
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements of PYRIDINE-1-OXIDE(694-59-7):
22: Do not breathe dust
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 24/25: Avoid contact with skin and eyes
24/25: Avoid contact with skin and eyes
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
37/39: Wear suitable gloves and eye/face protection
WGK Germany: 3
RTECS: UT6410000
F: 21
HS Code: 29333999