4-Fluoro-3-(trifluoromethyl)phenylboronic Acid - CAS 182344-23-6

Catalog:	BB013934
Product Name:	4-Fluoro-3-(trifluoromethyl)phenylboronic Acid
CAS:	182344-23-6
Synonyms:	[4-fluoro-3-(trifluoromethyl)phenyl]boronic acid; [4-fluoro-3-(trifluoromethyl)phenyl]boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	[4-fluoro-3-(trifluoromethyl)phenyl]boronic acid
Description:	4-Fluoro-3-(trifluoromethyl)phenylboronic Acid (CAS# 182344-23-6) is a useful research chemical.
Molecular Weight:	207.92
Molecular Formula:	C7H5F4O2B
Canonical SMILES:	B(C1=CC(=C(C=C1)F)C(F)(F)F)(O)O
InChI:	InChI=1S/C7H5BF4O2/c9-6-2-1-4(8(13)14)3-5(6)7(10,11)12/h1-3,13-14H
InChI Key:	GUJYFCBXDUPORN-UHFFFAOYSA-N
Boiling Point:	268.7 °C at 760 mmHg
Density:	1.44 g/cm³
MDL:	MFCD07363787
LogP:	0.52430

Publication Number	Title	Priority Date
WO-2021198981-A1	Antiviral compounds and uses thereof	20200401
US-2021171455-A1	Alpha-5 beta-1 inhibitors	20191210
WO-2021119199-A1	Alpha-5 beta-1 inhibitors	20191210
CN-110698458-A	Organic luminescent material and application thereof	20191030
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

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Related Functional Groups

Boronic Acids and Esters

[871126-22-6]
2-Fluoro-4-formylphenylboronic acid
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[881302-73-4]
3,5-Dicarboxyphenylboronic Acid
[470478-90-1]
4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester
[850623-36-8]
Potassium (4-Cyanophenyl)trifluoroborate
[1171897-39-4]
5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester

GHS Hazard Statement:	H302 (12.5%): 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:	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