4-Chloro-3-(trifluoromethoxy)phenylboronic Acid - CAS 902757-07-7

Catalog:	BB039805
Product Name:	4-Chloro-3-(trifluoromethoxy)phenylboronic Acid
CAS:	902757-07-7
Synonyms:	[4-chloro-3-(trifluoromethoxy)phenyl]boronic acid; [4-chloro-3-(trifluoromethoxy)phenyl]boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	[4-chloro-3-(trifluoromethoxy)phenyl]boronic acid
Description:	4-Chloro-3-(trifluoromethoxy)phenylboronic Acid (CAS# 902757-07-7) is a useful research chemical.
Molecular Weight:	240.37
Molecular Formula:	C7H5ClF3O3B
Canonical SMILES:	B(C1=CC(=C(C=C1)Cl)OC(F)(F)F)(O)O
InChI:	InChI=1S/C7H5BClF3O3/c9-5-2-1-4(8(13)14)3-6(5)15-7(10,11)12/h1-3,13-14H
InChI Key:	ZTIWEYMDQDWLHC-UHFFFAOYSA-N
LogP:	0.91840

Publication Number	Title	Priority Date
JP-2013010750-A	Medicine containing two-pyridone compound	20110602
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416
AU-2010327597-A1	2-Pyridone compounds	20091204
AU-2010327597-B2	2-Pyridone compounds	20091204

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Related Functional Groups

Boronic Acids and Esters

[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid
[1245906-70-0]
Potassium (2-Chloro-5-pyrimidinyl)trifluoroborate
[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:	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:	214
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.9972364
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	239.9972364
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0