5-Chloropyrimidine-4-carboxylic Acid - CAS 64224-65-3

Catalog:	BB032407
Product Name:	5-Chloropyrimidine-4-carboxylic Acid
CAS:	64224-65-3
Synonyms:	5-chloro-4-pyrimidinecarboxylic acid; 5-chloropyrimidine-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	5-chloropyrimidine-4-carboxylic acid
Description:	5-Chloropyrimidine-4-carboxylic Acid (CAS# 64224-65-3) is a useful research chemical.
Molecular Weight:	158.54
Molecular Formula:	C5H3ClN2O2
Canonical SMILES:	C1=C(C(=NC=N1)C(=O)O)Cl
InChI:	InChI=1S/C5H3ClN2O2/c6-3-1-7-2-8-4(3)5(9)10/h1-2H,(H,9,10)
InChI Key:	AXGQUUGCTSWSMC-UHFFFAOYSA-N
LogP:	0.82820

Publication Number	Title	Priority Date
BR-112013013291-B1	Pyrimidine compound, harmful arthropod control agent, use of the pyrimidine composite and method of controlling harmful arthropods	20101201
CN-103228646-A	Pyrimidine compound and use for pest control thereof	20101201
EP-2646433-A1	Pyrimidine compound and use for pest control thereof	20101201
EP-2646433-B1	Pyrimidine compound and use for pest control thereof	20101201
JP-2012131780-A	Pyrimidine compounds and their use for pest control	20101201

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[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.988305
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.988305
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7