2-Chloro-4-pyridylboronic Acid - CAS 458532-96-2

Catalog:	BB026001
Product Name:	2-Chloro-4-pyridylboronic Acid
CAS:	458532-96-2
Synonyms:	(2-chloro-4-pyridinyl)boronic acid; (2-chloropyridin-4-yl)boronic acid

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	(2-chloropyridin-4-yl)boronic acid
Description:	Substrate in a peroxide mediated hydroxydeboronation providing good yields of halohydroxypyridines.
Molecular Weight:	157.36
Molecular Formula:	C5H5ClNO2B
Canonical SMILES:	B(C1=CC(=NC=C1)Cl)(O)O
InChI:	InChI=1S/C5H5BClNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3,9-10H
InChI Key:	WJYRVVDXJMJLTN-UHFFFAOYSA-N
Boiling Point:	355.2 °C at 760 mmHg
Melting Point:	155-163 °C
Flash Point:	Not applicable
Purity:	≥ 95.0 %
Density:	1.41 g/cm³
Storage:	2-8 °C
MDL:	MFCD03788416
LogP:	-0.58520

Publication Number	Title	Priority Date
US-2021167321-A1	Inorganic light emitting diode and inorganic light emitting device including the same	20191128
WO-2021090030-A1	Gpr52 modulator compounds	20191108
CN-112574191-A	Isoxazole heterocyclic compound and application thereof	20190929
CN-112341431-A	Heterocyclic compounds as FGFR4 inhibitors	20190809
WO-2020151795-A1	A class of small-molecule compounds and their prodrugs for intervention with camk2a, and their use in acute brain injuries and central hypersomnias	20190121

PMID	Publication Date	Title	Journal
21655328	20110101	Design, synthesis, and characterization of a highly effective Hog1 inhibitor: a powerful tool for analyzing MAP kinase signaling in yeast	PloS one

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Related Functional Groups

Boronic Acids and Esters

[1022092-33-6]
1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[937796-06-0]
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid
[1245906-70-0]
Potassium (2-Chloro-5-pyrimidinyl)trifluoroborate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.0101863
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	157.0101863
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0