PHENETHYLZINC BROMIDE

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Molecular Formula:

C8H9BrZn

Molecular Weight:

250.45

CAS Number:

308796-14-7

Catalog Number:

308796-14-7

Product Information

Molecular Formula:

C8H9BrZn

Molecular Weight:

250.45

Description

Phenethylzinc bromide can be used as a reagent: • In the transition metal-catalyzed Negishi cross-coupling reaction to prepare aryl or heteroaryl derivatives by reacting with organic halides or triflates via carbon-carbon bond formation.• To prepare (4-phenyl-1-butyn-1-yl)benzene by reacting with phenylacetylene via palladium-catalyzed cross-coupling reaction.• To synthesize benzyl substituted thienopyrimidine derivatives.

Synonyms

PHENETHYLZINC BROMIDE; PHENETHYLZINC BROMIDE, 0.5M SOLUTION IN; phenethylzinc bromide solution

IUPAC Name

bromozinc(1+)ethylbenzene

Canonical SMILES

[CH2-]CC1=CC=CC=C1.[Zn+]Br

InChI

InChI=1S/C8H9.BrH.Zn/c1-2-8-6-4-3-5-7-8;;/h3-7H,1-2H2;1H;/q-1;;+2/p-1

InChI Key

YHVLYRZWQLDARE-UHFFFAOYSA-M

Boiling Point

65 °C

Flash Point

1.4 °F - closed cup

Purity

95%

Density

0.965

Storage

2-8°C

Safety Information

Hazards

H225 - H261 - H302 - H319 - H335 - H336 - H351

Precautionary Statement

P201 - P210 - P231 + P232 - P301 + P312 - P305 + P351 + P338 - P308 + P313

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

247.91790 g/mol

Monoisotopic Mass

247.91790 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

60.3

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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PHENETHYLZINC BROMIDE

Product Information

Safety Information

Computed Properties

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