2,6-Dichloropyridine N-Oxide

HCID 817673

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2587-00-0
Standard SMILES: [O-][n+]1c(Cl)cccc1Cl
InChIKey: RFOMGVDPYLWLOC-UHFFFAOYSA-N
Molecular formula: C5H3Cl2NO
Average molar mass: 163.99 g/mol
Monoisotopic mass: 162.95916908

Overview

structure in first source

Names & identifiers

Preferred name: 2,6-Dichloropyridine N-Oxide
IUPAC: 2,6-dichloro-1-oxidopyridin-1-ium
English name: 2,6-DICHLOROPYRIDINE N-OXIDE
Molecular formula: C5H3Cl2NO
Molecular weight: 163.99

Names & synonyms

2587-00-02,6-Dichloropyridine N-oxideDTXSID50355830RefChem:83197DTXCID70306889679-082-02,6-Dichloropyridine 1-oxide2,6-dichloro-1-oxidopyridin-1-ium2,6-DICHLOROPYRIDINE-1-OXIDE2,6-dichloropyridin-1-ium-1-olate2,6-Dichloropyridine-N-oxideMFCD00130246

Show more names

NSC 136569AURORA KA-3003AURORA KA-64962,6-DichloropyridineN-Oxide>2,6-Dichloropyridine-N-oxide,98%2,6-Dichloropyridine N-oxide 98%

SCHEMBL4674012,6-di-chloro pyridine-1-oxide2,6-Dichloropyridine N-oxide, 98%NSC-136569H10886pyridine 1-oxide, 2,6-dichloro-Pyridine, 2,6-dichloro-, 1-oxide2,6-Dichloropyridine1-oxide

Database identifiers

CAS: 2587-00-0
PubChem CID: 817673
DTXSID: DTXSID50355830
EC Number: 679-082-0
Nikkaji: J31.409I

Properties

Computed structural properties

XLogP: 1.8
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: 91

Physicochemical properties

Melting point: 138 · 138-142 °C(lit.)
Boiling point: 344.2 · 344.2±22.0 °C(Predicted)
Density: 1.47 · 1.47±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform
pka: -2.26 · -2.26±0.10(Predicted)
form: Powder or Crystals
color: White to creamish or light yellow
InChI: 1S/C5H3Cl2NO/c6-4-2-1-3-5(7)8(4)9/h1-3H
InChIKey: RFOMGVDPYLWLOC-UHFFFAOYSA-N
SMILES: [O-][n+]1c(Cl)cccc1Cl
CAS DataBase Reference: 2587 · 2587-00-0
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 315 · H315-H319-H302-H311-H332-H335
Precautionary statements: 280 h-P305+P351+P338-P309-P310-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 · P280h-P305+P351+P338-P309-P310-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 36 · 36/37/39-26-22
RIDADR: 2811 · UN2811
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
HS Code: 29333999 · 29333999
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (85.7%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
ridadr: UN2811
hs_code: 29333999
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07,GHS06
hazard_code: Xn
safety_code: 36/37/39-26-22
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H302-H311-H332-H335
Precautionary statements: P280h-P305+P351+P338-P309-P310-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313