4-(2,2,2-Trifluoroethoxy)phenylboronic Acid - CAS 886536-37-4

Catalog:	BB039130
Product Name:	4-(2,2,2-Trifluoroethoxy)phenylboronic Acid
CAS:	886536-37-4
Synonyms:	[4-(2,2,2-trifluoroethoxy)phenyl]boronic acid; [4-(2,2,2-trifluoroethoxy)phenyl]boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	[4-(2,2,2-trifluoroethoxy)phenyl]boronic acid
Description:	4-(2,2,2-Trifluoroethoxy)phenylboronic Acid (CAS# 886536-37-4) is a useful research chemical.
Molecular Weight:	219.95
Molecular Formula:	C8H8F3O3B
Canonical SMILES:	B(C1=CC=C(C=C1)OCC(F)(F)F)(O)O
InChI:	InChI=1S/C8H8BF3O3/c10-8(11,12)5-15-7-3-1-6(2-4-7)9(13)14/h1-4,13-14H,5H2
InChI Key:	DWRAMTYYMNLVBD-UHFFFAOYSA-N
Boiling Point:	297.1 °C at 760 mmHg
Density:	1.35 g/cm³
Appearance:	White solid
LogP:	0.30750

Publication Number	Title	Priority Date
US-2021171529-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
WO-2021108404-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
WO-2021019051-A1	Inhibitors of human atgl	20190730
WO-2020097265-A1	Pyridazinone compounds and uses thereof	20181106
EP-3877052-A1	Pyridazinone compounds and uses thereof	20181106

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Related Functional Groups

Boronic Acids and Esters

[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[1029439-85-7]
2,3-Difluoro-4-hydroxyphenylboronic Acid Pinacol Ester
[1171897-39-4]
5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester

GHS Hazard Statement:	H302 (33.33%): 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:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.0518588
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	220.0518588
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0