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Cas Database

Name	Pyridine-N-oxide	EINECS	211-774-6
CAS No.	694-59-7	Density	1.03 g/cm³
PSA	25.46000	LogP	1.11510
Solubility	Soluble in water	Melting Point	65-66 °C
Formula	C₅H₅NO	Boiling Point	270 °C at 760 mmHg
Molecular Weight	95.1008	Flash Point	117.1 °C
Transport Information	N/A	Appearance	White to light yellow solid
Safety	26-24/25-37/39-36/37/39-22	Risk Codes	36/37/38-22-40-20/21/22
Molecular Structure		Hazard Symbols	Xn, Xi
Synonyms	PYRIDINE-1-OXIDE;PYRIDINE-N-OXIDE;1-oxidePyridine;Pyridine oxide;pyridineoxide;Pyridin-N-oxid;Pyridine-N-Oxidee;PYRIDINE-1-OXIDE 97%	Article Data	80

Pyridine-N-oxide Synthetic route

: 110-86-1
pyridine

: 694-59-7
pyridine N-oxide

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%

: 98-98-6
2-Picolinic acid

: 694-59-7
pyridine N-oxide

Conditions

Conditions	Yield
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

Conditions	Yield
In chloroform; trichlorofluoromethane	A 49% B 30%

: 110-86-1
pyridine

A: 694-59-7
pyridine N-oxide

B: N-(Perfluorohexanoyl)pyridinium-1-aminide

Conditions

Conditions	Yield
With perfluoro(cis-2-hexyl-3-pentyloxaziridine) In chloroform; trichlorofluoromethane	A 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

Conditions	Yield
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

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

: 100-46-9
benzylamine

A: 694-59-7
pyridine N-oxide

B: 780-25-6
N-benzylidene benzylamine

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With palladium on activated charcoal; ethanol Hydrogenation;

Pyridine-N-oxide Chemical Properties

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;

Pyridine-N-oxide 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.

Pyridine-N-oxide Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Pyridine-N-oxide 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 NO_x.
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

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