2,3,4-Trifluorophenylboronic Acid - CAS 226396-32-3

Catalog:	BB017694
Product Name:	2,3,4-Trifluorophenylboronic Acid
CAS:	226396-32-3
Synonyms:	(2,3,4-trifluorophenyl)boronic acid; (2,3,4-trifluorophenyl)boronic acid

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Computed Properties

IUPAC Name:	(2,3,4-trifluorophenyl)boronic acid
Description:	2,3,4-Trifluorophenylboronic Acid (CAS# 226396-32-3) is a useful research chemical.
Molecular Weight:	175.90
Molecular Formula:	C6H4F3O2B
Canonical SMILES:	B(C1=C(C(=C(C=C1)F)F)F)(O)O
InChI:	InChI=1S/C6H4BF3O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,11-12H
InChI Key:	CLGIPVVEERQWSQ-UHFFFAOYSA-N
Boiling Point:	260.2 °C at 760 mmHg
Density:	1.44 g/cm³
MDL:	MFCD01863168
LogP:	-0.21630

Publication Number	Title	Priority Date
DE-102021000109-A1	LIQUID CRYSTALLINE COMPOUNDS	20200205
WO-2021156232-A1	Liquid-crystalline compounds	20200205
EP-3854835-A1	Polymer compositions comprising at least one polymer based on ionic monomers, methods of making same and their use in electrochemical applications	20200124
WO-2021146815-A1	Polymers based on ionic monomers, compositions comprising same, methods for manufacturing same, and use thereof in electrochemical applications	20200124
CN-110981699-A	Improvement of synthesis process of 3,4, 5-trifluorophenol	20191217

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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:	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