3-Methoxy-5-(trifluoromethyl)phenylboronic Acid - CAS 871332-97-7

Catalog:	BB038296
Product Name:	3-Methoxy-5-(trifluoromethyl)phenylboronic Acid
CAS:	871332-97-7
Synonyms:	[3-methoxy-5-(trifluoromethyl)phenyl]boronic acid; [3-methoxy-5-(trifluoromethyl)phenyl]boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	[3-methoxy-5-(trifluoromethyl)phenyl]boronic acid
Description:	3-Methoxy-5-(trifluoromethyl)phenylboronic Acid (CAS# 871332-97-7) is a useful research chemical.
Molecular Weight:	219.95
Molecular Formula:	C8H8F3O3B
Canonical SMILES:	B(C1=CC(=CC(=C1)OC)C(F)(F)F)(O)O
InChI:	InChI=1S/C8H8BF3O3/c1-15-7-3-5(8(10,11)12)2-6(4-7)9(13)14/h2-4,13-14H,1H3
InChI Key:	GKEMDZIGTOAZRK-UHFFFAOYSA-N
Boiling Point:	318.3 °C at 760 mmHg
Density:	1.36 g/cm³
LogP:	0.39380

Publication Number	Title	Priority Date
US-10668067-B2	Pyridine sulfonamides	20160720
US-2019167682-A1	Pyridine sulfonamides	20160720
WO-2017213210-A1	Heterocyclic compound	20160610
AU-2016341445-A1	2-aryl- and 2-heteroaryl-substituted 2-pyridazin-3(2H)-one compounds as inhibitors of FGFR tyrosine kinases	20151023
EP-3365335-A1	2-aryl- and 2-heteroaryl-substituted 2-pyridazin-3(2h)-one compounds as inhibitors of fgfr tyrosine kinases	20151023

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Related Functional Groups

Boronic Acids and Esters

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2-(Methoxycarbonyl)-4-methylphenylboronic Acid
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3,5-Dicarboxyphenylboronic Acid
[470478-90-1]
4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester
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(6-Chlorobenzo[b]thiophen-2-yl)boronic acid
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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:	210
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:	2
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0