2,6-Dimethylpyridine N-oxide

HCID 14083

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Basic information

CAS: 1073-23-0
Standard SMILES: Cc1cccc(C)[n+]1[O-]
InChIKey: LIDGFHXPUOJZMK-UHFFFAOYSA-N
Molecular formula: C7H9NO
Average molar mass: 123.15 g/mol
Monoisotopic mass: 123.06841391

Overview

RN given refers to parent cpd; structure

Names & identifiers

Preferred name: 2,6-Dimethylpyridine N-oxide
IUPAC: 2,6-dimethyl-1-oxidopyridin-1-ium
English name: 2,6-Dimethylpyridine N-oxide
Molecular formula: C7H9NO
Molecular weight: 123.15

Names & synonyms

2,6-Dimethylpyridine N-oxide1073-23-02,6-Lutidine N-oxidePyridine, 2,6-dimethyl-, 1-oxide2,6-Lutidine, 1-oxideNSC-18258NSC-60738JY6T788D7NDTXSID4061462RefChem:445806DTXCID8033067214-025-1

Show more names

Lutidine-n-oxide2,6-Lutidine-1-oxide1-Oxide-2,6-lutidine2,6-LutidineN-Oxide>2,6-Lutidine-N-oxide ,98%2,6-dimethyl-pyridin1-oxide2,6-Dimethylpyridine N-oxid

2,6-Lutidine-N-oxide2,6-Dimethylpyridine 1-oxide2,6-Lutidine 1-oxide2,6-Lutidine oxide2,6-Dimethylpyridine-N-oxide2,6-Dimethylpyridine oxide2,6-dimethyl-1-oxidopyridin-1-iumMFCD00039715

Database identifiers

CAS: 1073-23-0
PubChem CID: 14083
DTXSID: DTXSID4061462
UNII: JY6T788D7N
EC Number: 214-025-1
Nikkaji: J31.404H

Properties

Computed structural properties

XLogP: 0.7
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: 84.9

Physicochemical properties

Melting point: 9 · 9-10°C
Boiling point: 106 · 106-110 °C (8 mmHg)
Density: 1.102 · 1.102
refractive index: 1.567 · 1.567-1.57
Flash point: 108 · 108-111°C/10mm
pka: 1 · pK1:1.366(+1) (25°C)
form: clear liquid
color: Colorless to Light yellow to Light orange
Water Solubility: Miscible with water.
Sensitive: Hygroscopic
BRN: 110551 · 110551
Dielectric constant: 46.11 · 46.109999999999999
CAS DataBase Reference: 1073 · 1073-23-0(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2,6-Lutidine-n-oxide(1073-23-0)
EPA Substance Registry System: 2 · Pyridine, 2,6-dimethyl-, 1-oxide (1073-23-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 280 h-P305+P351+P338 · P280h-P305+P351+P338
Hazard Codes: Xn,Xi
Risk Statements: 36 · 36/37/38-20/21/22-22
Safety Statements: 36 · 36/37/39-26-36/37-23
TSCA: TSCA listed
HS Code: 29339900 · 29339900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

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

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.