2,6-Dichlorobenzylzinc chloride solution

Inquiry

Molecular Formula:

Cl2C6H3CH2ZnCl

Molecular Weight:

260.86

CAS Number:

307531-80-2

Catalog Number:

307531-80-2

Product Information

Molecular Formula:

Cl2C6H3CH2ZnCl

Molecular Weight:

260.86

Description

2,6-Dichlorobenzylzinc chloride can be used as a substrate in the palladium-catalyzed synthesis of 1-phenyl-2,5-hexanedione derivatives using methyl vinyl ketone and carbon monoxide.

Synonyms

2,6-dichlorobenzylzinc chloride; Zinc, chloro[(2,6-dichlorophenyl)methyl]-; 2,6-Dichlorobenzylzinc chloride 0.5 M in Tetrahydrofuran; 2,6-Dichlorobenzylzinc chloride, 0.5M in THF

IUPAC Name

chlorozinc(1+)1,3-dichloro-2-methanidylbenzene

Canonical SMILES

[CH2-]C1=C(C=CC=C1Cl)Cl.Cl[Zn+]

InChI

InChI=1S/C7H5Cl2.ClH.Zn/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H21H/q-1+2/p-1

InChI Key

TXXQINBXYHNHIM-UHFFFAOYSA-M

Boiling Point

65 °C

Flash Point

1.0 °F - closed cup - Not applicable

Density

0.991 g/mL at 25 °C

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

257.874825 g/mol

Monoisotopic Mass

257.874825 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

89.7

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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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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2,6-Dichlorobenzylzinc chloride solution

Product Information

Safety Information

Computed Properties

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