ChemicalBook--->CAS DataBase List--->931-19-1

931-19-1

931-19-1 Structure

931-19-1 Structure
IdentificationMore
[Name]

2-Picoline-N-oxide
[CAS]

931-19-1
[Synonyms]

2-METHYLPYRIDINE 1-OXIDE
2-METHYLPYRIDINE N-OXIDE
2-PICOLINE-N-OXIDE
ALPHA-PICOLINE N-OXIDE
N-OXIDE OF 2-METHYL PYRIDINE
2-methyl-pyridin1-oxide
2-Picoline, 1-oxide
2-picoline-oxide
alpha-Picoline 1-oxide
-Picoline N-oxide
Pyridine,2-methyl-,1-oxide
2-PICOLINE N-OXIDE, 96+%
Alfa picoline oxide
2-PICOLINE-N-OXIDE 95%(MIN)
2-Methylpyridine-N-oxide hemihydrate(2-Picoline-N-oxide hemihydrate)
Alpha-picoline N-oxide, 2-Picoline N-oxide
2-Methyl-1-oxidopyridin-1-ium
a-Picoline 1-oxide
a-Picoline N-oxide
1-Oxylato-2-methylpyridinium
[EINECS(EC#)]

213-230-3
[Molecular Formula]

C6H7NO
[MDL Number]

MFCD00006199
[Molecular Weight]

109.13
[MOL File]

931-19-1.mol
Chemical PropertiesBack Directory
[Appearance]

light yellow to brown crystalline low melting mass
[Melting point ]

41-45 °C(lit.)
[Boiling point ]

259-261 °C
[density ]

1.1143 (rough estimate)
[refractive index ]

1.5444 (estimate)
[Fp ]

>230 °F
[storage temp. ]

RT, stored under nitrogen
[form ]

powder to lump to clear liquid
[pka]

pK1:1.029(+1) (25°C)
[color ]

White or Colorless to Light yellow
[Water Solubility ]

soluble
[Sensitive ]

Hygroscopic
[BRN ]

106916
[InChI]

InChI=1S/C6H7NO/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
[InChIKey]

CFZKDDTWZYUZKS-UHFFFAOYSA-N
[SMILES]

C1(C)[N+]([O-])=CC=CC=1
[CAS DataBase Reference]

931-19-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Pyridine, 2-methyl-, 1-oxide(931-19-1)
[EPA Substance Registry System]

931-19-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn,F
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R10:Flammable.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
S16:Keep away from sources of ignition-No smoking .
[WGK Germany ]

3
[F ]

3
[TSCA ]

Yes
[HS Code ]

29333990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

4-(Dimethylamino)pyridine-2-carboxylic acid-->4-Nitropicolinaldehyde-->4-Bromopyridine-2-carbaldehyde-->4-Bromo-2-pyridinemethanol-->4-Bromo-2-methylpyridine-->4-Methoxypicolinaldehyde
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Picoline-N-oxide(931-19-1).msds
Hazard InformationBack Directory
[Chemical Properties]

light yellow to brown crystalline low melting mass
[Uses]

2-Picoline N-oxide is used in proteomics research. Also used as pharmaceutical intermediates.
[Application]

2-Methylpyridine 1-oxide is a useful building block for organic synthesis.
[Definition]

ChEBI: Picoline N-oxide is a member of methylpyridines and a member of pyridine N-oxides.
[Synthesis]

K2CO3 (20 mmol) and urea peroxide (10 mmol) were dissolved in dry 1,4-dioxane (100 mL), which was then stirred and reacted at room temperature for 1 hour. Trifluoroacetic anhydride (10 mmol) was added dropwise to the mixture below 12 °C to bring the mixtu
[Purification Methods]

Purify the N-oxide by fractional distillation, and it can be recrystallised from *C6H6/hexane but is hygroscopic. [Bullitt & Maynard J Am Chem Soc 76 1370 1954, Ross et al. J Am Chem Soc 78 3625 1956, IR: Wiley & SlaymAker J Am Chem Soc 79 2233 1957.] The picrate has m 125-126.5o (from EtOH) [Boekelheide & Linn J Am Chem Soc 76 1286 1954]. The phthalate has m 115-116o (from EtOH) [den Hertog et al. Recl Trav Chim Pays-Bas 70 591 1951.]. [Beilstein 20 III/IV 2689, 20/5 V 479.]
Spectrum DetailBack Directory
[Spectrum Detail]

2-Picoline-N-oxide(931-19-1)MS
2-Picoline-N-oxide(931-19-1)1HNMR
2-Picoline-N-oxide(931-19-1)13CNMR
2-Picoline-N-oxide(931-19-1)IR1
2-Picoline-N-oxide(931-19-1)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Picoline-N-oxide, 98%(931-19-1)
[Alfa Aesar]

2-Picoline N-oxide, 98%(931-19-1)
[Sigma Aldrich]

931-19-1(sigmaaldrich)
[TCI AMERICA]

2-Picoline N-Oxide,>99.0%(GC)(931-19-1)
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