2-Fluoro-4-(trifluoromethyl)phenylboronic Acid - CAS 503309-11-3

Name: 2-Fluoro-4-(trifluoromethyl)phenylboronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027011
Product Name:	2-Fluoro-4-(trifluoromethyl)phenylboronic Acid
CAS:	503309-11-3
Synonyms:	[2-fluoro-4-(trifluoromethyl)phenyl]boronic acid; [2-fluoro-4-(trifluoromethyl)phenyl]boronic acid

Technical Data

IUPAC Name:	[2-fluoro-4-(trifluoromethyl)phenyl]boronic acid
Description:	2-Fluoro-4-(trifluoromethyl)phenylboronic Acid (CAS# 503309-11-3) is a useful research chemical.
Molecular Weight:	207.92
Molecular Formula:	C7H5F4O2B
Canonical SMILES:	B(C1=C(C=C(C=C1)C(F)(F)F)F)(O)O
InChI:	InChI=1S/C7H5BF4O2/c9-6-3-4(7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H
InChI Key:	SSFSVKVWAURAAM-UHFFFAOYSA-N
Boiling Point:	251.912 °C at 760 mmHg
Flash Point:	Not applicable
Density:	1.443 g/cm³
MDL:	MFCD03094995
LogP:	0.52430

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
CN-112979688-A	Preparation method of 2-fluoro-4-trifluoromethylphenylboronic acid	20210520
WO-2021193349-A1	Hydrophilic oil repellent polymer	20200324
US-2021246140-A1	Modulators of metabotropic glutamate receptor 2	20200131
WO-2021155196-A1	Modulators of metabotropic glutamate receptor 2	20200131
WO-2021019051-A1	Inhibitors of human atgl	20190730

Complexity:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.0318722
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	208.0318722
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0