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Basic Information
CAS No.: 694-59-7
Name: Pyridine-N-oxide
Article Data: 80
Molecular Structure:
Molecular Structure of 694-59-7 (Pyridine-N-oxide)
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: HarmfulXn, IrritantXi
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
Synthetic route
110-86-1

pyridine

694-59-7

pyridine N-oxide

Conditions
ConditionsYield
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%
98-98-6

2-Picolinic acid

694-59-7

pyridine N-oxide

Conditions
ConditionsYield
With dihydrogen peroxide In water at 90℃; for 1h;93%
110-86-1

pyridine

Perfluoro-2-hexyl-3-pentyloxaziridine

A

694-59-7

pyridine N-oxide

B

N-(Perfluorohexanoyl)pyridinium-1-aminide

Conditions
ConditionsYield
In chloroform; trichlorofluoromethaneA 49%
B 30%
110-86-1

pyridine

A

694-59-7

pyridine N-oxide

B

N-(Perfluorohexanoyl)pyridinium-1-aminide

Conditions
ConditionsYield
With perfluoro(cis-2-hexyl-3-pentyloxaziridine) In chloroform; trichlorofluoromethaneA 49%
B 30%
110-86-1

pyridine

perfluoro-cis-2-n-butyl-3-n-propyloxaziridine

A

694-59-7

pyridine N-oxide

B

N-(Perfluorobutanoyl)pyridinium-1-aminide

Conditions
ConditionsYield
In chloroform; trichlorofluoromethane at -60℃; for 0.5h;A 44%
B 33%
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
ConditionsYield
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
100-46-9

benzylamine

A

694-59-7

pyridine N-oxide

B

780-25-6

N-benzylidene benzylamine

Conditions
ConditionsYield
With pyridine; Oxone; tetrabutylammomium bromide In dichloromethane at 20℃; for 12h;A n/a
B 8%
110-86-1

pyridine

2311-91-3

monoperoxyphthalic acid

694-59-7

pyridine N-oxide

Conditions
ConditionsYield
With diethyl ether
110-86-1

pyridine

93-59-4

Perbenzoic acid

71-43-2

benzene

694-59-7

pyridine N-oxide

1121-76-2

4-chloropyridine N-oxide

694-59-7

pyridine N-oxide

Conditions
ConditionsYield
With palladium on activated charcoal; ethanol Hydrogenation;
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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 cm
Polarizability: 11.03 10 -24 cm
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