3-Cyanobenzylzinc bromide solution

Inquiry

Molecular Formula:

NCC6H4CH2ZnBr

Molecular Weight:

261.45

CAS Number:

117269-72-4

Catalog Number:

117269-72-4

Product Information

Molecular Formula:

NCC6H4CH2ZnBr

Molecular Weight:

261.45

Description

3-Cyanobenzylzinc bromide solution expertly aids in the synthesis of diverse drugs and pharmaceutical intermediates. It is used in the synthesis of drugs to treat cancer, inflammation and infectious diseases.

Synonyms

zinc; 3-methanidylbenzonitrile; bromide; Zinc,bromo[(3-cyanophenyl)methyl]-; 117269-72-4; ACMC-20mn3i

IUPAC Name

bromozinc(1+)3-methanidylbenzonitrile

Canonical SMILES

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

InChI

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

InChI Key

DOAJWWPVOOHMFV-UHFFFAOYSA-M

Flash Point

1.4 °F - closed cup

Purity

95%

Density

0.966g/mLat25°C

Appearance

Light to Dark Brown Liquid

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

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

3-Cyanobenzylzinc bromide solution

Product Information

Safety Information

Computed Properties

Related Products