Isoquinoline-6-boronic Acid Hydrochloride - CAS 1236031-63-2

Catalog:	BB005728
Product Name:	Isoquinoline-6-boronic Acid Hydrochloride
CAS:	1236031-63-2
Synonyms:	6-isoquinolinylboronic acid;hydrochloride; isoquinolin-6-ylboronic acid;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	isoquinolin-6-ylboronic acid;hydrochloride
Description:	Isoquinoline-6-boronic Acid Hydrochloride (CAS# 1236031-63-2) is a useful research chemical.
Molecular Weight:	209.44
Molecular Formula:	C9H9ClNO2B
Canonical SMILES:	B(C1=CC2=C(C=C1)C=NC=C2)(O)O.Cl
InChI:	InChI=1S/C9H8BNO2.ClH/c12-10(13)9-2-1-8-6-11-4-3-7(8)5-9;/h1-6,12-13H;1H
InChI Key:	MKNBRFWRIQVMGU-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	0.71660

Publication Number	Title	Priority Date
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416
EP-2387570-A1	Fluoroisoquinoline substituted thiazole compounds and methods of use	20090115
US-2011263647-A1	Fluoroisoquinoline substituted thiazole compounds and methods of use	20090115
WO-2010083246-A1	Fluoroisoquinoline substituted thiazole compounds and methods of use	20090115

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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
[380430-53-5]
2-Ethoxycarbonylphenylboronic Acid
[1245906-70-0]
Potassium (2-Chloro-5-pyrimidinyl)trifluoroborate
[1257724-90-5]
2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
[1171897-39-4]
5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.0414864
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	209.0414864
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0