2-Bromopyridine 1-oxide hydrochloride

HCID 2724044CAS 80866-91-7

Substructure search Find similar structures

Basic information

Standard SMILES: Cl.[O-][n+]1ccccc1Br
InChIKey: FRYPQGMFDZBQEW-UHFFFAOYSA-N
Molecular formula: C5H5BrClNO
Average molar mass: 210.45 g/mol
Monoisotopic mass: 208.92430356

Names & identifiers

Preferred name: 2-Bromopyridine 1-oxide hydrochloride
IUPAC: 2-bromo-1-oxidopyridin-1-ium;hydrochloride
English name: 2-Bromopyridine N-oxide hydrochloride
Molecular formula: C5H5BrClNO
Molecular weight: 210.46

Names & synonyms

80866-91-72-Bromopyridine 1-oxide hydrochloride2-Bromopyridine 1-oxide HClEINECS 279-594-0DTXSID60230760RefChem:467306DTXCID90153251279-594-02-Bromopyridine N-oxide hydrochloride2-bromo-1-oxidopyridin-1-ium;hydrochloride2-Bromopyridine-N-oxide hydrochlorideMFCD00012804

Show more names

2-BROMOPYRIDINE N-OXIDE HCL2-Bromopyridine N-oxide hydrochL2-Bromopyridine 1-Oxid HydrochloridePyridine, 2-bromo-, 1-oxide, hydrochloride2-Bromo-1-oxidopyridin-1-ium hydrochloride2-BROMOPYRIDINE N-OXIDE HYDROCHLORIDE, 9 7%2-Bromopyridine N-oxide hydrochloride ISO 9001：2015 REACH

2-bromopyridine-1-oxide hydrochloride2-bromopyridin-1-ol, chlorideSCHEMBL1760838SCHEMBL29653351FRYPQGMFDZBQEW-UHFFFAOYSA-N2-Bromopyridine1-oxidehydrochlorideAKOS015891613AC-5081

Database identifiers

CAS: 80866-91-7
PubChem CID: 2724044
DTXSID: DTXSID60230760
EC Number: 279-594-0

Properties

Computed structural properties

Topological polar surface area: 25.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 78.8

Physicochemical properties

Melting point: 131 · 131-134 °C(lit.)
Sensitive: Hygroscopic
BRN: 3691450 · 3691450
InChI: 1S/C5H4BrNO.ClH/c6-5-3-1-2-4-7(5)8;/h1-4H;1H
InChIKey: FRYPQGMFDZBQEW-UHFFFAOYSA-N
SMILES: Cl[H].[O-][n+]1ccccc1Br
CAS DataBase Reference: 80866 · 80866-91-7(CAS DataBase Reference)
UNSPSC Code: 12352005 · 12352005
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39-24/25
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29333999 · 29333999
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29333999
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39-24/25
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2-BromopyridineN-oxide hydrochloride can be used as a reactant to prepare:A complex of pyridine-N-oxide with borane by reacting with alkynyltriarylborates.A biologically significant bis(2-selenopyridine-N-oxide)nickel(II)-acetone complex.