4-Cyanobenzylzinc bromide solution

Inquiry

Molecular Formula:

C8H6BrNZn

Molecular Weight:

261.43

CAS Number:

135579-87-2

Catalog Number:

135579-87-2

Product Information

Molecular Formula:

C8H6BrNZn

Molecular Weight:

261.43

Description

4-Cyanobenzylzinc bromide solution is a valuable reagent extensively used in biomedicine. It serves as a versatile tool for the synthesis and modification of pharmaceutical molecules. With its unique properties, this solution is employed in the preparation of anti-inflammatory drugs and antiviral agents, addressing various diseases such as rheumatoid arthritis and viral infections.

Synonyms

4-CYANOBENZYLZINCBROMIDE; 135579-87-2; p-cyanobenzylzincbromide; ACMC-1C0QC; 4-cyano-benzylzincbromide; SCHEMBL467282

IUPAC Name

bromozinc(1+)4-methanidylbenzonitrile

Canonical SMILES

[CH2-]C1=CC=C(C=C1)C#N.[Zn+2].[Br-]

InChI

InChI=1S/C8H6N.BrH.Zn/c1-7-2-4-8(6-9)5-3-7;;/h2-5H,1H2;1H;/q-1;;+2/p-1

InChI Key

NPZQOIOPGDXHKW-UHFFFAOYSA-M

Boiling Point

218.4°C at 760 mmHg

Flash Point

1.4 °F - closed cup

Purity

95%

Density

0.956 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

132

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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4-Cyanobenzylzinc bromide solution

Product Information

Safety Information

Computed Properties

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