2-Chloro-5-methylpyridine-3-boronic Acid - CAS 913835-86-6

Catalog:	BB040150
Product Name:	2-Chloro-5-methylpyridine-3-boronic Acid
CAS:	913835-86-6
Synonyms:	(2-chloro-5-methyl-3-pyridinyl)boronic acid; (2-chloro-5-methylpyridin-3-yl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(2-chloro-5-methylpyridin-3-yl)boronic acid
Description:	2-Chloro-5-methylpyridine-3-boronic Acid (CAS# 913835-86-6) is a useful research chemical.
Molecular Weight:	342.78
Molecular Formula:	C12H14Cl2N2O4B2
Canonical SMILES:	B(C1=CC(=CN=C1Cl)C)(O)O
InChI:	InChI=1S/C6H7BClNO2/c1-4-2-5(7(10)11)6(8)9-3-4/h2-3,10-11H,1H3
InChI Key:	ZMHWEBDZKPQNHG-UHFFFAOYSA-N
Boiling Point:	373.1 °C a t760 mmHg
Density:	1.34 g/cm³
Appearance:	Brown solid
MDL:	MFCD04112563
LogP:	-0.27680

Publication Number	Title	Priority Date
CA-2837146-A1	Benzocycloheptene acetic acids	20110606
EP-2718264-A1	Benzocycloheptene acetic acids	20110606
EP-2718264-B1	Benzocycloheptene acetic acids	20110606
JP-2014522407-A	Benzocycloheptene acetic acid	20110606
KR-20140041589-A	Benzocycloheptene acetic acid	20110606

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Related Functional Groups

Boronic Acids and Esters

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2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
[2005430-90-8]
3-[[2-(Trimethylsilyl)ethoxy]methyl]-3H-imidazo[4,5-b]pyridine-6-boronic Acid Pinacol Ester
[1256358-61-8]
3-[(2-Methoxyethoxy)methyl]phenylboronic Acid
[2247367-07-1]
4,4,4',4',5,5,5',5'-octaethyl-2,2'-bi(1,3,2-dioxaborolane)

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:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.0258363
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	171.0258363
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0