4-Chloro-2,6-pyridinedicarboxylic Acid - CAS 4722-94-5

Catalog:	BB026239
Product Name:	4-Chloro-2,6-pyridinedicarboxylic Acid
CAS:	4722-94-5
Synonyms:	4-chloropyridine-2,6-dicarboxylic acid; 4-chloropyridine-2,6-dicarboxylic acid

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Computed Properties

IUPAC Name:	4-chloropyridine-2,6-dicarboxylic acid
Description:	4-Chloro-2,6-pyridinedicarboxylic Acid (CAS# 4722-94-5) is a useful research chemical.
Molecular Weight:	201.56
Molecular Formula:	C7H4ClNO4
Canonical SMILES:	C1=C(C=C(N=C1C(=O)O)C(=O)O)Cl
InChI:	InChI=1S/C7H4ClNO4/c8-3-1-4(6(10)11)9-5(2-3)7(12)13/h1-2H,(H,10,11)(H,12,13)
InChI Key:	IYUMNONNHYADBU-UHFFFAOYSA-N
Boiling Point:	457.1 °C at 760 mmHg
Density:	1.684 g/cm³
Appearance:	Solid
MDL:	MFCD04117894
LogP:	1.13140

Publication Number	Title	Priority Date
US-2020157087-A1	Macrocyclic complexes of alpha-emitting radionuclides and their use in targeted radiotherapy of cancer	20181120
WO-2019068961-A1	NOVEL POLYMERS, PROCESSES FOR THEIR PREPARATION, AND USES THEREFOR, IN PARTICULAR FOR THE CAPTURE OF METALS	20171002
EP-3692083-A1	Novel polymers, methods for preparing same, and uses thereof particularly for metal capture	20171002
EP-3600452-A1	Macrocyclic complexes of alpha-emitting radionuclides and their use in targeted radiotherapy of cancer	20170330
WO-2018183906-A1	Macrocyclic complexes of alpha-emitting radionuclides and their use in targeted radiotherapy of cancer	20170330

PMID	Publication Date	Title	Journal
12058928	20020412	Dynamic chelation ion chromatography of transition and heavy metal ions using a mobile phase containing 4-chlorodipicolinic acid	Journal of chromatography. A

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

Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.9828853
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	200.9828853
Rotatable Bond Count:	2
Topological Polar Surface Area:	87.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2