ChemicalBook--->CAS DataBase List--->694-59-7

694-59-7

694-59-7 Structure

694-59-7 Structure
IdentificationMore
[Name]

Pyridine-N-oxide
[CAS]

694-59-7
[Synonyms]

PYRIDINE-1-OXIDE
PYRIDINE-N-OXIDE
1-oxidePyridine
Pyridine oxide
pyridineoxide
Pyridin-N-oxid
Pyridine-N-Oxidee
PYRIDINE-1-OXIDE 97%
Pyridne-N-Oxide
PyridineN-oxide,95%
3-PICOLIN-N-OXIDE
1-Oxidopyridin-1-ium
1-Oxylatopyridinium
[EINECS(EC#)]

211-774-6
[Molecular Formula]

C5H5NO
[MDL Number]

MFCD00006194
[Molecular Weight]

95.1
[MOL File]

694-59-7.mol
Chemical PropertiesBack Directory
[Appearance]

White to light yellow solid
[Melting point ]

62-67 °C(lit.)
[Boiling point ]

270 °C(lit.)
[density ]

1.1418 (rough estimate)
[refractive index ]

1.5939 (estimate)
[Fp ]

143 °C
[storage temp. ]

2-8°C
[form ]

Crystalline Solid, Crystals, and/or Chunks
[pka]

0.79(at 24℃)
[color ]

White to brownish
[Water Solubility ]

soluble
[Sensitive ]

Hygroscopic
[Merck ]

14,7972
[BRN ]

105257
[InChI]

1S/C5H5NO/c7-6-4-2-1-3-5-6/h1-5H
[InChIKey]

ILVXOBCQQYKLDS-UHFFFAOYSA-N
[SMILES]

[O-][n+]1ccccc1
[Uses]

Intermediate.
[CAS DataBase Reference]

694-59-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Pyridine, 1-oxide(694-59-7)
[Storage Precautions]

Moisture sensitive
[EPA Substance Registry System]

694-59-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Warning
[Hazard statements ]

H301-H315-H319-H335
[Precautionary statements ]

P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
R40:Limited evidence of a carcinogenic effect.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust .
[WGK Germany ]

3
[RTECS ]

UT6410000
[F ]

21
[TSCA ]

Yes
[HS Code ]

29333999
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

4-Aminopyridine-->4-CHLORO-PYRIDINE-2-CARBONITRILE-->4-BENZYLOXY-2(1 H)-PYRIDONE-->4-chloropyridine-->4-Nitropyridine-->2-BROMOPYRIDINE N-OXIDE-->4-chloro-3-(pyridin-2-yl)aniline-->2-PYRAZOL-1-YL-PYRIDINE-->2-CYANO-4-NITROPYRIDINE-->4-Methoxypyridine N-oxide-->4-NITROPICOLINIC ACID-->2-Chloropyridine-->2-Benzylaminopyridine-->2-Pyridinepropanol-->4-METHOXYPYRIDINE-2-CARBOXYLIC ACID-->Sodium Pyrithione-->(R)-tert-Butyl 3-(pyridin-2-ylamino)piperidine-1-carboxylate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Pyridine-N-oxide(694-59-7).msds
Hazard InformationBack Directory
[Hazard]

Probably flammable and toxic.
[Chemical Properties]

White to light yellow solid
[Definition]

ChEBI: The pyridine N-oxide derived from the parent pyridine. It is a drug metabolite of the antihypertensive agent pinacidil.
[Synthesis Reference(s)]

Organic Syntheses, Coll. Vol. 4, p. 828, 1963
Tetrahedron Letters, 12, p. 2807, 1971 DOI: 10.1016/S0040-4039(01)97047-9
[General Description]

Pyridine N-oxide axle with [2]rotaxanes was synthesized via an anion templated threading-followed-by-stoppering strategy.
[Purification Methods]

Purify the N-oxide by crystallisation from Et2O and by vacuum sublimation. The picrolonate has m 182-184o. [Katritzky J Chem Soc 2407 1956, Beilstein 20 III/IV 2305, 20/5 V 217.]
Spectrum DetailBack Directory
[Spectrum Detail]

Pyridine-N-oxide(694-59-7)MS
Pyridine-N-oxide(694-59-7)1HNMR
Pyridine-N-oxide(694-59-7)13CNMR
Pyridine-N-oxide(694-59-7)IR1
Pyridine-N-oxide(694-59-7)IR2
Pyridine-N-oxide(694-59-7)IR3
Pyridine-N-oxide(694-59-7)Raman
Pyridine-N-oxide(694-59-7)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Pyridine-N-oxide, 98%(694-59-7)
[Alfa Aesar]

Pyridine N-oxide, 95%(694-59-7)
[Sigma Aldrich]

694-59-7(sigmaaldrich)
[TCI AMERICA]

Pyridine N-Oxide,>95.0%(T)(694-59-7)
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