2-Chloropyridine oxide

HCID 75465CAS 2402-95-1

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Basic information

Standard SMILES: [O-][n+]1ccccc1Cl
InChIKey: WYSRTEVFLQJJDN-UHFFFAOYSA-N
Molecular formula: C5H4ClNO
Average molar mass: 129.54 g/mol
Monoisotopic mass: 128.99814143

Names & identifiers

Preferred name: 2-Chloropyridine oxide
IUPAC: 2-chloro-1-oxidopyridin-1-ium
English name: 2-Chloropyridine-N-oxide
Molecular formula: C5H4ClNO
Molecular weight: 129.54

Names & synonyms

2402-95-12-Chloropyridine 1-oxide2-Chloropyridine N-oxide2-Chloropyridine oxidePyridine, 2-chloro-, 1-oxideDTXSID60178754CHLOROPYRIDINE-N-OXIDE, 2-1B7DYF9G1ZPYRIDINE, 2-CHLORO-, OXIDEEINECS 219-284-4RefChem:470507DTXCID20101245

Show more names

N-oxy-2-cloropyridineN-OXY-2-CHLORPYRIDINE2-CHLOROPYRIDINE N-OXIDPyridine,2-chloro-,1-oxide2-Chloropyridine n-oxide ,97%2-chloro-1$l^{5}-pyridin-1-one

219-284-42-Chloropyridine-N-oxide2-chloro-1-oxidopyridin-1-iumMFCD001290362-chloropyridin-1-ium-1-olate2-chloropyridine-N oxideAKOS006229636GS-6521

Database identifiers

CAS: 2402-95-1
PubChem CID: 75465
DTXSID: DTXSID60178754
UNII: 1B7DYF9G1Z
EC Number: 219-284-4
Nikkaji: J31.408K

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 25.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 78.8

Physicochemical properties

Melting point: 67 · 67-70°C
Boiling point: 168 · 168-170C
Density: 1 · 1,209g/cm
refractive index: 1 · 1,531-1,533
pka: -0.76 · -0.76±0.10(Predicted)
Water Solubility: Insoluble in water.
Sensitive: Moisture Sensitive
BRN: 108585 · 108585
InChI: InChI=1S/C5H4ClNO/c6-5-3-1-2-4-7(5)8/h1-4H
InChIKey: WYSRTEVFLQJJDN-UHFFFAOYSA-N
SMILES: C1(Cl)[N+]([O-])=CC=CC=1
CAS DataBase Reference: 2402 · 2402-95-1(CAS DataBase Reference)
FDA UNII: 1 B7DYF9G1Z · 1B7DYF9G1Z
Symbol(GHS): 6 · GHS06
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H331-H335
Precautionary statements: 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 23 · 23/24/25-36/37/38-20/21/22
Safety Statements: 26 · 26-36/37/39-45-36-36/37
RIDADR: 2811 · 2811
HazardClass: 6.1 · 6.1
PackingGroup: II
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)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.