4-Fluoro-2-(trifluoromethyl)phenylboronic Acid - CAS 182344-16-7

Catalog:	BB013932
Product Name:	4-Fluoro-2-(trifluoromethyl)phenylboronic Acid
CAS:	182344-16-7
Synonyms:	[4-fluoro-2-(trifluoromethyl)phenyl]boronic acid; [4-fluoro-2-(trifluoromethyl)phenyl]boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	[4-fluoro-2-(trifluoromethyl)phenyl]boronic acid
Description:	4-Fluoro-2-(trifluoromethyl)phenylboronic Acid (CAS# 182344-16-7) is a useful research chemical.
Molecular Weight:	207.92
Molecular Formula:	C7H5F4O2B
Canonical SMILES:	B(C1=C(C=C(C=C1)F)C(F)(F)F)(O)O
InChI:	InChI=1S/C7H5BF4O2/c9-4-1-2-6(8(13)14)5(3-4)7(10,11)12/h1-3,13-14H
InChI Key:	SWUPLEAGZOKLNX-UHFFFAOYSA-N
Boiling Point:	259.6 °C at 760 mmHg
Density:	1.44 g/cm³
Appearance:	Yellow powder
MDL:	MFCD08062379
LogP:	0.52430

Publication Number	Title	Priority Date
CN-113363578-A	Boron-based non-nucleophilic rechargeable magnesium battery electrolyte and preparation method thereof	20210608
WO-2021133957-A1	Benzimidazole compounds as hdac6 inhibitors	20191227
WO-2021064571-A1	N-substituted-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl derivatives as inhibitors of the human immunodeficiency virus replication	20191001
WO-2020157199-A1	Annulated dihydropyridazinone compounds as anti-cancer compounds	20190201
WO-2020157201-A1	Oxadiazinone compounds for the treatment of hyperproliferative diseases	20190201

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Related Functional Groups

Boronic Acids and Esters

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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
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
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3,5-Dicarboxyphenylboronic Acid
[10365-98-7]
3-Methoxybenzeneboronic Acid

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:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.0318722
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	208.0318722
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0