Pyridine, 2,3-dimethyl-, 1-oxide

HCID 3840573CAS 22710-07-2

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccc[n+]([O-])c1C
InChIKey: QWLULCKKOHDCIE-UHFFFAOYSA-N
Molecular formula: C7H9NO
Average molar mass: 123.15 g/mol
Monoisotopic mass: 123.06841391

Names & identifiers

Preferred name: Pyridine, 2,3-dimethyl-, 1-oxide
IUPAC: 2,3-dimethyl-1-oxidopyridin-1-ium
English name: 2,3-Dimethylpyridine-N-oxide
Molecular formula: C7H9NO
Molecular weight: 123.15

Names & synonyms

22710-07-22,3-dimethylpyridin-1-ium-1-olatePyridine, 2,3-dimethyl-, 1-oxideRefChem:870585DTXCID101731766DTXSID601301681700-260-12,3-dimethylpyridine 1-oxide2,3-Dimethylpyridine-n-oxide2,3-Lutidine-N-oxide2,3-Dimethylpyridine N-oxide2,3-dimethyl-1-oxidopyridin-1-ium

Show more names

ansoprazole Impurity 30Lansoprazole related Impurity 12,3-Dimethylpyridine N-oxide ,98%2,3-Dimethylpyridine-N-oxide ISO 9001：2015 REACH

166521-76-2MFCD004608422,3-dimethyl-4-pyridine-N-Oxide2,3-Lutidine 1-oxide2,3-lutidin-N-oxide2,3-Lutidine N-oxide2,3-dimethylpyridin-1-ol2,3-dimethylpyridine1-oxide

Database identifiers

CAS: 22710-07-2
PubChem CID: 3840573
DTXSID: DTXSID601301681
EC Number: 700-260-1
Nikkaji: J355.007I

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 25.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 94.9

Physicochemical properties

Melting point: 85 · 85-93 °C
Boiling point: 160 · 160-161 °C(Press: 1 Torr)
Density: 1 · 1.00±0.1 g/cm3(Predicted)
storage temp.: RT, stored under nitrogen
solubility: Chloroform (Slightly), DMSO (Slightly)
form: Solid
pka: 1.38 · 1.38±0.10(Predicted)
color: White to Off-White
CAS DataBase Reference: 22710 · 22710-07-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H320-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 29333990 · 29333990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 29333990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
Hazard statements: H302-H315-H320-H335
Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2,3-Lutidine-N-oxide can be used in biological study of enzymic reduction of pyridine- and nitropyridine-N-oxide derivs. by ferredoxin-NADP+ oxidoreductase and the role of their electron accepting potency.