3-Fluoro-4-(trifluoromethoxy)phenylboronic Acid - CAS 187804-79-1

Name: 3-Fluoro-4-(trifluoromethoxy)phenylboronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB014448
Product Name:	3-Fluoro-4-(trifluoromethoxy)phenylboronic Acid
CAS:	187804-79-1
Synonyms:	[3-fluoro-4-(trifluoromethoxy)phenyl]boronic acid; [3-fluoro-4-(trifluoromethoxy)phenyl]boronic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	[3-fluoro-4-(trifluoromethoxy)phenyl]boronic acid
Description:	3-Fluoro-4-(trifluoromethoxy)phenylboronic Acid (CAS# 187804-79-1) is a useful research chemical.
Molecular Weight:	223.92
Molecular Formula:	C7H5F4O3B
Canonical SMILES:	B(C1=CC(=C(C=C1)OC(F)(F)F)F)(O)O
InChI:	InChI=1S/C7H5BF4O3/c9-5-3-4(8(13)14)1-2-6(5)15-7(10,11)12/h1-3,13-14H
InChI Key:	VDEVIIGZNWVCOR-UHFFFAOYSA-N
Boiling Point:	267.1 °C at 760 mmHg
Density:	1.48 g/cm³
LogP:	0.40410

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Related Functional Groups

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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

Publication Number	Title	Priority Date
WO-2021191384-A1	Aryl piperidines as monoacylglycerol lipase modulators	20200326
WO-2021063914-A1	4-quinolinone antibacterial compounds	20190930
US-2020392154-A1	Pyridine carbamates and their use as glun2b receptor modulators	20190614
WO-2020249799-A1	Pyridine carbamates and their use as glun2b receptor modulators	20190614
US-2020347043-A1	Modulators of the integrated stress pathway	20190430

Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.0267868
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	224.0267868
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0