Benzylzinc bromide

Inquiry

Molecular Formula:

C7H7BrZn

Molecular Weight:

236.42

CAS Number:

62673-31-8

Catalog Number:

62673-31-8

Product Information

Molecular Formula:

C7H7BrZn

Molecular Weight:

236.42

Description

Benzylzinc bromide solution can be used as a nucleophile for the Mannich-type synthesis of 1,2-diarylethylpiperazines. It can also undergo C−C cross coupling reactions with aryl halides.

Synonyms

BENZYLZINC BROMIDE; BENZYLZINC BROMIDE, 0.5M SOLUTION IN TET RAHYDROFURAN; benzylzinc bromide solution

IUPAC Name

bromozinc(1+)methanidylbenzene

Canonical SMILES

[CH2-]C1=CC=CC=C1.[Zn+]Br

InChI

InChI=1S/C7H7.BrH.Zn/c1-7-5-3-2-4-6-7/h2-6H,1H21H/q-1+2/p-1

InChI Key

WRSWIWOVJBYZAW-UHFFFAOYSA-M

Flash Point

1.0 °F - closed cup

Density

0.978 g/mL at 25 °C

Appearance

Brown liquid

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

233.90225 g/mol

Monoisotopic Mass

233.90225 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

50.9

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

Patents

Publication Number	Title	Priority Date
WO-2021069567-A1	Novel heteroaryl-triazole compounds as pesticides	2019-10-09
WO-2020146682-A1	Carboxamides as modulators of sodium channels	2019-01-10
US-10144746-B2	Bridged bicyclic kallikrein inhibitors	2015-06-12
US-2016362427-A1	Bridged bicyclic kallikrein inhibitors	2015-06-12
US-2018194780-A1	Bridged bicyclic kallikrein inhibitors	2015-06-12
US-9815853-B2	Bridged bicyclic kallikrein inhibitors	2015-06-12
WO-2016201052-A1	Bridged bicyclic kallikrein inhibitors	2015-06-12
EP-3191465-A1	Herbicidal quinolines	2014-09-12
EP-3191465-B1	Herbicidal quinolines	2014-09-12
US-2017251670-A1	Herbicidal quinolines	2014-09-12

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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