2-Fluoro-5-(trifluoromethyl)phenylboronic Acid - CAS 352535-96-7

Catalog:	BB022577
Product Name:	2-Fluoro-5-(trifluoromethyl)phenylboronic Acid
CAS:	352535-96-7
Synonyms:	[2-fluoro-5-(trifluoromethyl)phenyl]boronic acid; [2-fluoro-5-(trifluoromethyl)phenyl]boronic acid

Technical Data

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Computed Properties

IUPAC Name:	[2-fluoro-5-(trifluoromethyl)phenyl]boronic acid
Description:	2-Fluoro-5-(trifluoromethyl)phenylboronic Acid (CAS# 352535-96-7) is a useful research chemical.
Molecular Weight:	207.92
Molecular Formula:	C7H5F4O2B
Canonical SMILES:	B(C1=C(C=CC(=C1)C(F)(F)F)F)(O)O
InChI:	InChI=1S/C7H5BF4O2/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,13-14H
InChI Key:	KUHVVLFCTMTYGR-UHFFFAOYSA-N
Boiling Point:	262.4 °C at 760 mmHg
Density:	1.44 g/cm³
MDL:	MFCD03701538
LogP:	0.52430

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GHS Hazard Statement:	H302 (12.5%): 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:	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