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Basic Information
CAS No.: 59886-90-7
Name: 4-Chloro-2,3-dimethylpyridine 1-oxide
Article Data: 14
Molecular Structure:
Molecular Structure of 59886-90-7 (4-Chloro-2,3-dimethylpyridine 1-oxide)
Formula: C7H8ClNO
Molecular Weight: 157.6
Synonyms: 4-Chloro-2,3-dimethylpyridine N-oxide;NSC 275262;
EINECS: 611-910-8
Density: 1.192 g/cm3
Melting Point: 103-105 °C
Boiling Point: 338.459 °C at 760 mmHg
Flash Point: 158.495 °C
Appearance: Pale Yellow Solid
Hazard Symbols: Xn
Risk Codes: R10; R22; R41
Safety: 24/25
PSA: 25.46000
LogP: 2.38530
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  • 4-Chloro-2,3-dimethylpyridine 1-oxide cas 59886-90-7

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Chemistry

Molecule structure of 4-Chloro-2,3-dimethylpyridine 1-oxide (CAS NO.59886-90-7):

IUPAC Name: 4-Chloro-2,3-dimethyl-1-oxidopyridin-1-ium 
Molecular Weight: 157.59752 g/mol
Molecular Formula: C7H8ClNO 
Density: 1.192 g/cm3 
Melting Point: 103-105 °C
Boiling Point: 338.459 °C at 760 mmHg 
Flash Point: 158.495 °C
Index of Refraction: 1.537
Molar Refractivity: 41.291 cm3
Molar Volume: 132.176 cm3
Surface Tension: 35.846 dyne/cm 
Enthalpy of Vaporization: 55.877 kJ/mol
XLogP3-AA: 1.3
H-Bond Acceptor: 1
Exact Mass: 157.029442
MonoIsotopic Mass: 157.029442
Topological Polar Surface Area: 26.9
Heavy Atom Count: 10
Canonical SMILES: CC1=C(C=C[N+](=C1C)[O-])Cl
InChI: InChI=1S/C7H8ClNO/c1-5-6(2)9(10)4-3-7(5)8/h3-4H,1-2H3
InChIKey: MCUYHRNUDDANSO-UHFFFAOYSA-N
Product Categories: Pyridines; PHARMACEUTICAL INTERMEDIATES; Intermediates of Rabeprazole; Heterocycles; Nitric Oxide Reagents

Uses

 4-Chloro-2,3-dimethylpyridine 1-oxide (CAS NO.59886-90-7) is used as intermediates for drugs rabeprazole.

Specification

 4-Chloro-2,3-dimethylpyridine 1-oxide (CAS NO.59886-90-7) is also named as 4-Chloro-2,3-dimethylpyridine N-oxide ; Pyridine, 4-chloro-2,3-dimethyl-, 1-oxide ; 2,3-Dimethyl-4-chloropyridine-N-Oxide . 4-Chloro-2,3-dimethylpyridine 1-oxide (CAS NO.59886-90-7) is pale yellow solid.