TRANS-2-CHLOROMETHYLVINYLBORONIC ACID

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Molecular Formula:

C3H6BClO2

Molecular Weight:

120.34

CAS Number:

215951-86-3

Catalog Number:

215951-86-3

Product Information

Molecular Formula:

C3H6BClO2

Molecular Weight:

120.34

Description

• Reactant for Suzuki-Miyaura cross-coupling reaction

Synonyms

trans-2-Chloromethylvinylboronicacid; 215951-86-3; (3-Chloroprop-1-en-1-yl)boronicacid; AC1O0XCA; C3H6BClO2; 556599_ALDRICH

IUPAC Name

[(E)-3-chloroprop-1-enyl]boronic acid

Canonical SMILES

B(C=CCCl)(O)O

InChI

InChI=1S/C3H6BClO2/c5-3-1-2-4(6)7/h1-2,6-7H,3H2/b2-1+

InChI Key

JMTGSXGIIONQHI-OWOJBTEDSA-N

Boiling Point

266.4°C at 760 mmHg

Melting Point

110-113°C (dec.)(lit.)

Flash Point

Not applicable

Purity

98%

Density

1.203g/cm3

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

120.0149373 g/mol

Monoisotopic Mass

120.0149373 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

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)

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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TRANS-2-CHLOROMETHYLVINYLBORONIC ACID

Product Information

Computed Properties

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