2-Chloro-3-nitropyridine - CAS 5470-18-8

Name: 2-Chloro-3-nitropyridine
Brand: BOC Sciences
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Catalog:	BB028785
Product Name:	2-Chloro-3-nitropyridine
CAS:	5470-18-8
Synonyms:	2-chloro-3-nitropyridine

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-3-nitropyridine
Description:	2-Chloro-3-nitropyridine (CAS# 5470-18-8) is a useful research chemical.
Molecular Weight:	158.54
Molecular Formula:	C5H3ClN2O2
Canonical SMILES:	C1=CC(=C(N=C1)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C5H3ClN2O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H
InChI Key:	UUOLETYDNTVQDY-UHFFFAOYSA-N
Boiling Point:	260.3 °C at 760 mmHg
Melting Point:	100-102 °C
Purity:	95 %
Density:	1.489 g/cm 3
Appearance:	Yellow crystal
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00006232
LogP:	2.16640

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Related Functional Groups

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1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
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2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[63585-69-3]C6H7ClN2O2
2-Methyl-3-nitropyridine Hydrochloride

GHS Hazard Statement:	H301 (82.98%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
22199698	20111201	2-(2-Meth-oxy-phen-oxy)-3-nitro-pyridine	Acta crystallographica. Section E, Structure reports online
21588752	20100828	2-(4-Meth-oxy-phen-oxy)-3-nitro-pyridine	Acta crystallographica. Section E, Structure reports online
21579084	20100402	2-Chloro-3-nitro-pyridine	Acta crystallographica. Section E, Structure reports online
17221985	20070119	Structures of the intermediates formed in the ring-opening reaction of 2-chloro-3-nitropyridine	The Journal of organic chemistry
12781183	20030616	The discovery of a new class of large-conductance Ca2+-activated K+ channel opener targeted for overactive bladder: synthesis and structure-activity relationships of 2-amino-4-azaindoles	Bioorganic & medicinal chemistry letters

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.9883050
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	157.9883050
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6