2-Chloro-6-fluorophenylboronic Acid - CAS 313545-32-3

Catalog:	BB020890
Product Name:	2-Chloro-6-fluorophenylboronic Acid
CAS:	313545-32-3
Synonyms:	(2-chloro-6-fluorophenyl)boronic acid; (2-chloro-6-fluorophenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(2-chloro-6-fluorophenyl)boronic acid
Description:	Reactant for: Suzuki coupling; Preparation of cellular checkpoint kinase Wee1 binding affectors.
Molecular Weight:	174.37
Molecular Formula:	C6H5ClFO2B
Canonical SMILES:	B(C1=C(C=CC=C1Cl)F)(O)O
InChI:	InChI=1S/C6H5BClFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H
InChI Key:	NXSZSZJWZVLHAY-UHFFFAOYSA-N
Boiling Point:	299.8 °C at 760 mmHg
Melting Point:	131-135 °C (lit.)
Density:	1.41 g/cm³
MDL:	MFCD04039892
LogP:	0.15890

Publication Number	Title	Priority Date
US-2015266875-A1	Tyk2 inhibitors and uses thereof	20140228
WO-2015131080-A1	Tyk2 inhibitors and uses thereof	20140228
EP-2738172-A1	New bicyclic compounds as crac channel modulators	20121128
EP-2900657-A1	Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use	20120926
US-2014088117-A1	Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use	20120926

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Related Functional Groups

Boronic Acids and Esters

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2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[871126-22-6]
2-Fluoro-4-formylphenylboronic acid
[380430-53-5]
2-Ethoxycarbonylphenylboronic Acid
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4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester
[850623-36-8]
Potassium (4-Cyanophenyl)trifluoroborate
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3-[[2-(Trimethylsilyl)ethoxy]methyl]-3H-imidazo[4,5-b]pyridine-6-boronic Acid Pinacol Ester

GHS Hazard Statement:	H302 (25%): 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:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.0055154
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	174.0055154
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0