cis-1-Propene-1-boronic acid

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Molecular Formula:

C3H7BO2

Molecular Weight:

85.90

CAS Number:

7547-96-8

Catalog Number:

7547-96-8

Product Information

Molecular Formula:

C3H7BO2

Molecular Weight:

85.90

Description

cis-1-Propen-1-ylboronic acid can be used:• As an intermediate in the preparation of furan-2-yl analog of salvinorin A, a psychoactive natural product.• To synthesize antibacterial polyoxygenated dibenzofuran derivatives from phloroglucinol.• As a substrate in the palladium-catalyzed cis-vinyl arenes synthesis by reacting with various aryl chlorides.

Synonyms

CIS-1-PROPENE-1-BORONIC ACID

IUPAC Name

[(Z)-prop-1-enyl]boronic acid

Canonical SMILES

B(C=CC)(O)O

InChI

InChI=1S/C3H7BO2/c1-2-3-4(5)6/h2-3,5-6H,1H3/b3-2-

InChI Key

CBMCZKMIOZYAHS-IHWYPQMZSA-N

Boiling Point

175.6°C at 760 mmHg

Melting Point

65-70°C(lit.)

Flash Point

219.2 °F - closed cup

Purity

90%

Density

0.969g/cm3

Appearance

White to brown solid

Storage

−20°C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

86.0539096 g/mol

Monoisotopic Mass

86.0539096 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

50.8

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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cis-1-Propene-1-boronic acid

Product Information

Computed Properties

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