2,4,5-Trifluorophenylboronic Acid - CAS 247564-72-3

Catalog:	BB018606
Product Name:	2,4,5-Trifluorophenylboronic Acid
CAS:	247564-72-3
Synonyms:	(2,4,5-trifluorophenyl)boronic acid; (2,4,5-trifluorophenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(2,4,5-trifluorophenyl)boronic acid
Description:	Reactant for: Suzuki-Miyaura coupling.
Molecular Weight:	175.90
Molecular Formula:	C6H4F3O2B
Canonical SMILES:	B(C1=CC(=C(C=C1F)F)F)(O)O
InChI:	InChI=1S/C6H4BF3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,11-12H
InChI Key:	KCHHKNCSISEAAE-UHFFFAOYSA-N
Boiling Point:	257 °C at 760 mmHg
Melting Point:	100 °C (lit.)
Density:	1.44 g/cm³
MDL:	MFCD01863165
LogP:	-0.21630

Publication Number	Title	Priority Date
WO-2021074281-A1	Substituted azacyles as trmp8 modulators	20191017
WO-2021009568-A1	Benzenesulfonamide derivatives and uses thereof	20190717
WO-2020080979-A1	Pfkfb3 inhibitors and their uses	20181015
EP-3867226-A1	Pfkfb3 inhibitors and their uses	20181015
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Related Functional Groups

Boronic Acids and Esters

[1022092-33-6]
1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[10365-98-7]
3-Methoxybenzeneboronic Acid

GHS Hazard Statement:	H302 (20%): 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:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.0256440
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	176.0256440
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0