ChemicalBook--->CAS DataBase List--->1003-73-2

1003-73-2

1003-73-2 Structure

1003-73-2 Structure
IdentificationMore
[Name]

3-Picoline-N-oxide
[CAS]

1003-73-2
[Synonyms]

3-METHYLPYRIDINE 1-OXIDE
3-METHYLPYRIDINE N-OXIDE
3-PICOLINE-N-OXIDE
BETA-PICOLINE-N-OXIDE
3-methyl-pyridin1-oxide
3-Picoline, 1-oxide
3-picoline-oxide
beta-Picoline 1-oxide
N-oxideof3-methylpyridine
Pyridine,3-methyl-,1-oxide
3-Methylpyrine-N-Oxide
3-Methylpyridin-N-oxid
B-Picoline-N-oxide
3-PICOLINE-N-OXIDE 95+%
BETA PICOLINE OXIDE, 97%
Beta-picoline N-oxide, 3-Picoline N-oxide
β-Picoline 1-oxide
[EINECS(EC#)]

213-714-4
[Molecular Formula]

C6H7NO
[MDL Number]

MFCD00006203
[Molecular Weight]

109.13
[MOL File]

1003-73-2.mol
Chemical PropertiesBack Directory
[Appearance]

PALE YELLOW TO BROWN CRYSTALLINE LOW MELTING MASS
[Melting point ]

37-39 °C(lit.)
[Boiling point ]

150 °C15 mm Hg(lit.)
[density ]

1.13
[refractive index ]

1.5444 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

>2000g/l
[form ]

Crystalline Low Melting Mass
[pka]

pK1:10.921(+1) (25°C)
[color ]

Pale yellow to brown
[Water Solubility ]

soluble
[Sensitive ]

Hygroscopic
[BRN ]

106327
[InChI]

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

DMGGLIWGZFZLIY-UHFFFAOYSA-N
[SMILES]

Cc1ccc[n+]([O-])c1
[CAS DataBase Reference]

1003-73-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Pyridine, 3-methyl-, 1-oxide(1003-73-2)
[EPA Substance Registry System]

1003-73-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
[WGK Germany ]

1
[RTECS ]

UT5799000
[F ]

3-10
[TSCA ]

Yes
[HS Code ]

29333990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
[Toxicity]

mouse,LD50,intraperitoneal,1689mg/kg (1689mg/kg),Toxicon. Vol. 23, Pg. 815, 1985.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrogen peroxide-->3-Picoline
[Preparation Products]

2-Amino-5-methylpyridine-->2-Chloro-5-methylpyridine-->Admire-->4-Bromo-3-methylpyridine-->3-Methylpyridine-2-carboxylic acid-->3-Methyl-4-nitropyridine N-Oxide-->4(1H)-Pyridinimine, 3-methyl--->4-Acetamidonicotinic acid-->Acetamide, N-(3-methyl-4-pyridinyl)- (9CI)-->4-methoxy-3-methylpyridine N-oxide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Methylpyridine-N-oxide(1003-73-2).msds
Hazard InformationBack Directory
[Chemical Properties]

PALE YELLOW TO BROWN CRYSTALLINE LOW MELTING MASS
[Uses]

An intermediate in the preparation of nicotine derivatives.
[Purification Methods]

Purify the N-oxide by careful fractionation in vacuo. The distillate remains supercooled for several days before solidifying. It is a slightly hygroscopic solid which could melt in the hand. The picrate has m 149-151o (from EtOH). [Taylor & Corvetti Org Synth Coll Vol IV 654 1963, IR: Katritzky et al. J Chem Soc 3680 1959, Jaffé & Doak J Am Chem Soc 77 4441, 4481 1955, Boekelheide & Linn J Am Chem Soc 76 1286 1954]. [Beilstein 20 III/IV 2719, 20/5 V 517.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-Picoline-N-oxide(1003-73-2)MS
3-Picoline-N-oxide(1003-73-2)1HNMR
3-Picoline-N-oxide(1003-73-2)13CNMR
3-Picoline-N-oxide(1003-73-2)IR1
3-Picoline-N-oxide(1003-73-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Picoline-N-oxide, 98%(1003-73-2)
[Alfa Aesar]

3-Picoline N-oxide, 98%(1003-73-2)
[Sigma Aldrich]

1003-73-2(sigmaaldrich)
[TCI AMERICA]

3-Picoline N-Oxide,>97.0%(GC)(1003-73-2)
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