3,5-Bis(trifluoromethyl)phenylboronic Acid - CAS 73852-19-4

Name: 3,5-Bis(trifluoromethyl)phenylboronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB034939
Product Name:	3,5-Bis(trifluoromethyl)phenylboronic Acid
CAS:	73852-19-4
Synonyms:	[3,5-bis(trifluoromethyl)phenyl]boronic acid; [3,5-bis(trifluoromethyl)phenyl]boronic acid

Technical Data

IUPAC Name:	[3,5-bis(trifluoromethyl)phenyl]boronic acid
Description:	Reactant involved in the synthesis of: Methylene-arylbutenones via carbonylative arylation of allenols; 4-aminoquinoline analogs via Ullman / Suzuki / Negishi coupling; Primary amino acid derivatives with anticonvulsant activity; Alkyl arylcarbamates via Cu-catalyzed coupling with potassium cyanate; Aryl-substituted succinimides and cyclic ketones by asymmetric conjugate addition; Axially chiral dicarboxylic acids for asymmetric Mannich-type reactions.
Molecular Weight:	257.93
Molecular Formula:	C8H5F6O2B
Canonical SMILES:	B(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(O)O
InChI:	InChI=1S/C8H5BF6O2/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16)17/h1-3,16-17H
InChI Key:	BPTABBGLHGBJQR-UHFFFAOYSA-N
Boiling Point:	128.685 °C at 760 mmHg
Melting Point:	217-220 °C (lit.)
Flash Point:	Not applicable
Purity:	≥ 95 %
Density:	1.128 g/cm³
MDL:	MFCD00051850
LogP:	1.40400

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

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PMID	Publication Date	Title	Journal
18665291	20080821	Boron-based rotaxanes by multicomponent self-assembly	Chemical communications (Cambridge, England)
17665898	20070823	Quantitative structure-activity relationship studies of [(biphenyloxy)propyl]isoxazole derivatives. Inhibitors of human rhinovirus 2 replication	Journal of medicinal chemistry
16562909	20060330	4,5,6,7-Tetrachlorobenzo[d][1,3,2]dioxaborol- 2-ol as an effective catalyst for the amide condensation of sterically demanding carboxylic acids	Organic letters

Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	258.0286785
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	258.0286785
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0