2-Bromopyridine N-oxide hydrochloride - CAS 80866-91-7

Name: 2-Bromopyridine N-oxide hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB036571
Product Name:	2-Bromopyridine N-oxide hydrochloride
CAS:	80866-91-7
Synonyms:	2-bromo-1-oxidopyridin-1-ium;hydrochloride

Technical Data

IUPAC Name:	2-bromo-1-oxidopyridin-1-ium;hydrochloride
Description:	2-Bromopyridine N-oxide hydrochloride (CAS# 80866-91-7) is a useful research chemical.
Molecular Weight:	210.46
Molecular Formula:	C5H4BrNO · HCl
Canonical SMILES:	C1=CC=[N+](C(=C1)Br)[O-].Cl
InChI:	InChI=1S/C5H4BrNO.ClH/c6-5-3-1-2-4-7(5)8;/h1-4H;1H
InChI Key:	FRYPQGMFDZBQEW-UHFFFAOYSA-N
Boiling Point:	336.2 °C at 760 mmHg
Melting Point:	126-131 °C
Purity:	95 %
Appearance:	White to beige crystalline powder
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00012804
LogP:	2.67960

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2008119509-A1	Altenrative Forms Of The Phosphodeisterase -4 Inhibitor N-Cyclopropyl-1- -3{3-[(1-Oxidopyryidin-3-Yl) Phenyl]-4-Oxo-1,4-Dihydro-1,8-Naphthyridine-3-Carboxyamide	20040426
US-2011245290-A1	Alternative Forms of the Phosphodiesterase-4 Inhibitor N-Cyclopropyl-1--4-Oxo-1,4-Dihydro-1,8-Naphthyridine-3-Carboxyamide	20040426
US-2013231363-A9	Alternative forms of the phosphodiesterase-4 inhibitor n-cyclopropyl-1--4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxyamide	20040426
US-8552193-B2	Alternative forms of the phosphodiesterase-4 inhibitor N-cyclopropyl-1-{3-[(1-oxidopryidin-3-yl)ethynyl]phenyl}-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxyamide	20040426
EP-1697354-A1	Isothiazole dioxides as cxc- and cc- chemokine receptor ligands	20031222

Complexity:	78.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.92430
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.92430
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0