5-Bromo-2-chloropyridine N-oxide - CAS 889865-43-4

Catalog:	BB039293
Product Name:	5-Bromo-2-chloropyridine N-oxide
CAS:	889865-43-4
Synonyms:	5-bromo-2-chloro-1-oxidopyridin-1-ium

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-chloro-1-oxidopyridin-1-ium
Description:	5-Bromo-2-chloropyridine N-oxide (CAS# 889865-43-4) is a useful research chemical.
Molecular Weight:	208.44
Molecular Formula:	C5H3BrClNO
Canonical SMILES:	C1=CC(=[N+](C=C1Br)[O-])Cl
InChI:	InChI=1S/C5H3BrClNO/c6-4-1-2-5(7)8(9)3-4/h1-3H
InChI Key:	ZNOXDBXBFJQERJ-UHFFFAOYSA-N
Appearance:	Solid
MDL:	MFCD09265108
LogP:	2.53100

Publication Number	Title	Priority Date
CN-112500337-A	Synthetic method of 3-bromo-6-chloropyridine formamide	20200903
EP-2558069-A1	Benzonapthyridine compositions and uses thereof	20100413
US-2013122042-A1	Benzonapthyridine compositions and uses thereof	20100413
US-2018333406-A1	Benzonapthyridine compositions and uses thereof	20100413
US-9597326-B2	Benzonapthyridine compositions and uses thereof	20100413

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.90865
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.90865
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5