3-Fluorobenzylzinc chloride solution

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Molecular Formula:

FC6H4CH2ZnCl

Molecular Weight:

209.96

CAS Number:

312693-06-4

Catalog Number:

312693-06-4

Product Information

Molecular Formula:

FC6H4CH2ZnCl

Molecular Weight:

209.96

Description

3-Fluorobenzylzinc chloride solution is an organometallic compound containing zinc atoms bonded to 3-fluorobenzyl groups and chloride ions. It is commonly used as a reagent in organic synthesis, especially in cross-coupling reactions such as the Suzuki-Miyaura reaction. This solution is typically prepared by reacting 3-fluorobenzyl chloride with zinc metal in the presence of a chloride source such as zinc chloride or hydrochloric acid.

Synonyms

3-Fluorobenzylzinc chloride; 3-Fluorobenzylzinc chloride, 0.50 M in THF; chlorozinc(1+); 1-fluoro-3-methanidylbenzene; 3-Fluorobenzylzinc chloride, 0.5M in THF; 3-Fluorobenzylzinc chloride 0.5 M in Tetrahydrofuran

IUPAC Name

chlorozinc(1+)1-fluoro-3-methanidylbenzene

Canonical SMILES

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

InChI

InChI=1S/C7H6F.ClH.Zn/c1-6-3-2-4-7(8)5-6/h2-5H,1H21H/q-1+2/p-1

InChI Key

ZQWLTSYIDLVERT-UHFFFAOYSA-M

Flash Point

1.4 °F - closed cup

Density

0.965 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

207.943348 g/mol

Monoisotopic Mass

207.943348 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

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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3-Fluorobenzylzinc chloride solution

Product Information

Safety Information

Computed Properties

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