3-CYANOPHENYLZINC IODIDE

Inquiry

Molecular Formula:

C7H4INZn

Molecular Weight:

294.41

CAS Number:

288309-53-5

Catalog Number:

288309-53-5

Product Information

Molecular Formula:

C7H4INZn

Molecular Weight:

294.41

Description

3-Cyanophenylzinc iodide can be used:• As a reagent/substrate in the palladium-catalyzed synthesis of 5-substituted 2-furaldehydes of biological importance.• As a substrate in the di-functionalization of indenes via α-carbonylalkylarylation to yield α-carbonyl- alkylarylated indenes.

Synonyms

3-CYANOPHENYLZINC IODIDE; 3-CYANOPHENYLZINC IODIDE, 0.5M SOLUTION INTETRAHYDROFURAN; 3-cyanophenylzinc iodide solution

IUPAC Name

benzonitrileiodozinc(1+)

Canonical SMILES

C1=CC(=C[C-]=C1)C#N.[Zn+]I

InChI

InChI=1S/C7H4N.HI.Zn/c8-6-7-4-2-1-3-5-7;;/h1-2,4-5H;1H;/q-1;;+2/p-1

InChI Key

HMBFIVLHOWOJRD-UHFFFAOYSA-M

Boiling Point

191.1°C at 760 mmHg

Flash Point

1.0 °F - closed cup

Purity

95%

Density

0.998

Appearance

Light to dark brown liquid

Storage

2-8°C

Safety Information

Hazards

H225 - H302 - H319 - H335 - H351

Precautionary Statement

P210 - P280 - P301 + P312 + P330 - P305 + P351 + P338 - P370 + P378 - P403 + P235

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

292.86799 g/mol

Monoisotopic Mass

292.86799 g/mol

Topological Polar Surface Area

23.8Å²

Heavy Atom Count

Formal Charge

Complexity

219

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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3-CYANOPHENYLZINC IODIDE

Product Information

Safety Information

Computed Properties

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