ChemicalBook--->CAS DataBase List--->696-54-8

696-54-8

696-54-8 Structure

696-54-8 Structure
IdentificationMore
[Name]

4-Pyridinealdoxime
[CAS]

696-54-8
[Synonyms]

4-PYRIDINEALDOXIME
4-PYRIDINECARBALDEHYDE OXIME
4-PYRIDINECARBOXALDOXIME
ISONICOTINALDEHYDE OXIME
ISONICOTINALDOXIME
PYRIDINE-4-ALDOXIME
PYRIDINE-4-CARBALDOXIME
PYRIDINE-4-CARBOXALDOXIME
4-(Hydroxyiminomethyl)pyridine
4-formyl-pyridinoxime
4-pyridinecarboxaldehyde,oxime
Pyridine, 4-formyl-, oxime
Pyridine-4-aldoxime,98%
4-(hydroxyiminomethyl)pyridin
4-PYRIDINECARBOXALDOXIME 99+%
4-PYRIDINCALDOXIME
4-(Nitrosomethylidene)-1H-pyridine
N-(4-Pyridylmethylene)hydroxylamine
Pyridine-4-carbaldehyde oxime
[EINECS(EC#)]

211-796-6
[Molecular Formula]

C6H6N2O
[MDL Number]

MFCD00006446
[Molecular Weight]

122.12
[MOL File]

696-54-8.mol
Chemical PropertiesBack Directory
[Appearance]

white very fine crystalline powder
[Melting point ]

131-133 °C
[Boiling point ]

227.52°C (rough estimate)
[bulk density]

610kg/m3
[density ]

1.2236 (rough estimate)
[vapor pressure ]

<0.01 hPa (50 °C)
[refractive index ]

1.5350 (estimate)
[Fp ]

110 °C
[storage temp. ]

Store below +30°C.
[solubility ]

10g/l
[form ]

Solid
[pka]

pK1:4.73(+1);pK2:10.03(0) (25°C)
[color ]

White to Off-White
[PH]

6.3 (10g/l, H2O, 20℃)
[Water Solubility ]

10 g/L (20 ºC)
[BRN ]

2079
[InChI]

1S/C6H6N2O/c9-8-5-6-1-3-7-4-2-6/h1-5,7H
[InChIKey]

XFNAGAQPPRZSFP-UHFFFAOYSA-N
[SMILES]

N1C=CC(=CN=O)C=C1
[CAS DataBase Reference]

696-54-8(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Pyridinecarboxaldehyde, oxime(696-54-8)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/22:Harmful by inhalation and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
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 .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[RTECS ]

NR9410000
[HS Code ]

29333999
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Toxicity]

LD50 orally in Rabbit: 655 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydroxylamine sulfate-->4-Methylpyridine-->4-Pyridinecarboxaldehyde-->3-Pyridinecarboxaldehyde,3-oxime,1-oxide,[C(E)]-(9CI)-->Pyridine, 4-(bromomethyl)- (9CI)-->4-Pyridinemethaneamine-->Nitrous acid-->Hydroxylamine hydrochloride-->Isonicotinamide
[Preparation Products]

4-Cyanopyridine-->(Z)-N-hydroxyisonicotiniMidoyl chloride
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Pyridinealdoxime(696-54-8).msds
Hazard InformationBack Directory
[Chemical Properties]

white very fine crystalline powder
[Uses]

An intermediate for bis(hydroxyiminomethylpyridinium)butenes as reactivators of chlorpyrifos-inhibited acetylcholinesterase.
[Uses]

It is employed as an intermediate for bis(hydroxyiminomethylpyridinium)butenes and as reactivators of chlorpyrifos-inhibited acetylcholinesterase. It is also used in the chromatographic separation and NMR characterization of the isomers of 1,1?-Methylenebis{4-[(hydroxyimino)methyl]pyridinium) dichloride.
[Purification Methods]

Crystallise the oxime from water. [Beilstein E-isomer 21 III/IV 3533, 21/7 V 355.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Pyridinealdoxime(696-54-8)MS
4-Pyridinealdoxime(696-54-8)1HNMR
4-Pyridinealdoxime(696-54-8)13CNMR
4-Pyridinealdoxime(696-54-8)IR1
4-Pyridinealdoxime(696-54-8)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Pyridine-4-carboxaldoxime, 98%(696-54-8)
[Sigma Aldrich]

696-54-8(sigmaaldrich)
[TCI AMERICA]

Pyridine-4-aldoxime,>98.0%(T)(696-54-8)
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