TRANS-2-(4-(TRIFLUOROMETHYL)PHENYL)-

Inquiry

Molecular Formula:

C9H8BF3O2

Molecular Weight:

215.965

CAS Number:

352525-91-8

Catalog Number:

352525-91-8

Product Information

Molecular Formula:

C9H8BF3O2

Molecular Weight:

215.965

Description

Reactant for:Microwave-assisted Suzuki-Miyaura cross-couplingCobalt-catalyzed coupling reactionsPreparation of vinylic MIDA boronatesSynthesis of C2-aryl pyrrolobenzodiazepine antitumor agentsSuzuki-Miyaura cross-coupling reaction

Synonyms

TRANS-2-(4-(TRIFLUOROMETHYL)PHENYL)-

IUPAC Name

[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]boronic acid

Canonical SMILES

B(C=CC1=CC=C(C=C1)C(F)(F)F)(O)O

InChI

InChI=1S/C9H8BF3O2/c11-9(12,13)8-3-1-7(2-4-8)5-6-10(14)15/h1-6,14-15H/b6-5+

InChI Key

BBNQFBHQOPZKTI-AATRIKPKSA-N

Melting Point

204-210 °C (lit.)

Flash Point

Not applicable

Purity

95%

Appearance

White to off-white powder

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

216.0569441 g/mol

Monoisotopic Mass

216.0569441 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

220

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

TRANS-2-(4-(TRIFLUOROMETHYL)PHENYL)-

Product Information

Computed Properties

Related Products