4-Chloro-2-pyrimidinecarboxylic Acid - CAS 944901-20-6

Catalog:	BB041365
Product Name:	4-Chloro-2-pyrimidinecarboxylic Acid
CAS:	944901-20-6
Synonyms:	4-chloro-2-pyrimidinecarboxylic acid; 4-chloropyrimidine-2-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloropyrimidine-2-carboxylic acid
Description:	4-Chloro-2-pyrimidinecarboxylic Acid (CAS# 944901-20-6) is a useful research chemical.
Molecular Weight:	158.54
Molecular Formula:	C5H3ClN2O2
Canonical SMILES:	C1=CN=C(N=C1Cl)C(=O)O
InChI:	InChI=1S/C5H3ClN2O2/c6-3-1-2-7-4(8-3)5(9)10/h1-2H,(H,9,10)
InChI Key:	UURIMXSRDJGGFO-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	0.82820

Publication Number	Title	Priority Date
CN-113466356-A	Sample pretreatment and detection method for determining pesticide residue content in cow milk	20210603
CN-113271776-A	Compositions comprising fluorochloropyrimidin and other herbicides and methods thereof	20181102
CN-113271777-A	Compositions comprising fluorochloropyrimidin and other herbicides and methods thereof	20181102
CN-110740643-A	Auxin herbicide mixtures	20170613
CN-110944977-A	Herbicidal amides	20170530

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Related Functional Groups

Carbonyl Compounds

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[17432-37-0]
2,3,5,6-Tetramethylbenzaldehyde

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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:	157.9883050
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.9883050
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1