2-Cyanobenzylzinc bromide solution

Inquiry

Molecular Formula:

NCC6H4CH2ZnBr

Molecular Weight:

261.43

CAS Number:

199465-66-2

Catalog Number:

199465-66-2

Product Information

Molecular Formula:

NCC6H4CH2ZnBr

Molecular Weight:

261.43

Description

2-Cyanobenzylzinc bromide can be used as a reactant: • In the metal-catalyzed Negishi cross-coupling reactions to prepare aryl or heteroaryl derivatives via carbon-carbon bond formation.• To synthesize 4-(2-Cyanobenzyl)-3'-(trifluoromethyl)biphenyl by reacting with aryl nonaflate in the presence of Pd(dba)2 as a catalyst.• To prepare 2-[(2-cyanophenyl)methyl] benzamide by treating with 2-iodobenzamide using a nickel catalyst.

Synonyms

Zinc, bromo[(2-cyanophenyl)methyl]-; 2-Cyanobenzylzinc bromide 0.5 M in Tetrahydrofuran; bromozinc(1+); 2-methanidylbenzonitrile; 2-Cyanobenzylzinc bromide, 0.5M in tetrahydrofuran

IUPAC Name

bromozinc(1+)2-methanidylbenzonitrile

Canonical SMILES

[CH2-]C1=CC=CC=C1C#N.[Zn+]Br

InChI

InChI=1S/C8H6N.BrH.Zn/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H21H/q-1+2/p-1

InChI Key

FRRLGGRYFJXNSD-UHFFFAOYSA-M

Flash Point

1.4 °F - closed cup

Density

0.993 g/mL at 25 °C

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

258.89750 g/mol

Monoisotopic Mass

258.89750 g/mol

Topological Polar Surface Area

23.8Å²

Heavy Atom Count

Formal Charge

Complexity

140

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

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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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2-Cyanobenzylzinc bromide solution

Product Information

Safety Information

Computed Properties

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