5-Fluoro-2-(trifluoromethyl)phenylboronic Acid - CAS 928053-97-8

Catalog:	BB040649
Product Name:	5-Fluoro-2-(trifluoromethyl)phenylboronic Acid
CAS:	928053-97-8
Synonyms:	[5-fluoro-2-(trifluoromethyl)phenyl]boronic acid; [5-fluoro-2-(trifluoromethyl)phenyl]boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	[5-fluoro-2-(trifluoromethyl)phenyl]boronic acid
Description:	5-Fluoro-2-(trifluoromethyl)phenylboronic Acid (CAS# 928053-97-8) is a useful research chemical.
Molecular Weight:	207.92
Molecular Formula:	C7H5F4O2B
Canonical SMILES:	B(C1=C(C=CC(=C1)F)C(F)(F)F)(O)O
InChI:	InChI=1S/C7H5BF4O2/c9-4-1-2-5(7(10,11)12)6(3-4)8(13)14/h1-3,13-14H
InChI Key:	LBDUHXAQWUKBEB-UHFFFAOYSA-N
Boiling Point:	271.4 °C at 760 mmHg
Density:	1.44 g/cm³
MDL:	MFCD06656275
LogP:	0.52430

Publication Number	Title	Priority Date
WO-2019244049-A1	Cyanotriazole compounds and uses thereof	20180619
AU-2019291490-A1	Cyanotriazole compounds and uses thereof	20180619
BR-112020025538-A2	CYANOTRIAZOL COMPOUNDS AND USES OF THE SAME	20180619
CN-112313217-A	Cyanotriazole compounds and use thereof	20180619
EP-3810598-A1	Cyanotriazole compounds and uses thereof	20180619

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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
[881302-73-4]
3,5-Dicarboxyphenylboronic Acid
[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:	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