CYCLOHEXYLZINC BROMIDE

Inquiry

Molecular Formula:

C6H11BrZn

Molecular Weight:

228.45

CAS Number:

7565-57-3

Catalog Number:

7565-57-3

Product Information

Molecular Formula:

C6H11BrZn

Molecular Weight:

228.45

Description

Cyclohexylzinc bromide is an organozinc reagent, generally used in Negishi coupling. Examples include the cross-coupling of alkylzinc halides with aryl/heteroaryl halides using Pd-PEPPSI-IPent and nickel-catalyzed synthesis of 4-substituted coumarins.It can react with the SO2 surrogate, 1,4-diazabicyclo[2.2.2]octane bis(sulfur dioxide) adduct (DABSO) to afford zinc sulfinate salts which can be alkylated to synthesize various useful sulfones.

Synonyms

CYCLOHEXYLZINC BROMIDE; CYCLOHEXYLZINC BROMIDE, 0.5M SOLUTION IN TETRAHYDROFURAN; cyclohexylzinc bromide solution

IUPAC Name

bromozinc(1+)cyclohexane

Canonical SMILES

C1CC[CH-]CC1.[Zn+]Br

InChI

InChI=1S/C6H11.BrH.Zn/c1-2-4-6-5-3-1/h1H,2-6H21H/q-1+2/p-1

InChI Key

PVURAUIMVICLOH-UHFFFAOYSA-M

Flash Point

3.0 °F - closed cup - Not applicable

Density

0.963 g/mL at 25 °C

Storage

2-8°C

Safety Information

Hazards

H225 - H250 - H302 - H314 - H335 - H351

Precautionary Statement

P210 - P231 - P280 - P305 + P351 + P338 - P370 + P378 - P422

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

225.93355 g/mol

Monoisotopic Mass

225.93355 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

35.5

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-2020206109-A1	Remodilins for airway remodeling and organ fibrosis	2019-04-02
WO-2020206118-A1	Remodilins to prevent or treat cancer metastasis, glaucoma, and hypoxia	2019-04-02
EP-3946301-A1	Remodilins for airway remodeling and organ fibrosis	2019-04-02
US-2022040207-A1	Remodilins to prevent or treat cancer metastasis, glaucoma, and hypoxia	2019-04-02
CN-110903324-A	Organic electroluminescent material and device	2018-09-14
US-2020087334-A1	Organic electroluminescent materials and devices	2018-09-14
CN-110857312-A	Organic electroluminescent material and device	2018-08-22
EP-3613751-A1	Organic electroluminescent materials and devices	2018-08-22
KR-20200068559-A	Organic electroluminescent materials and devices	2018-08-22
US-2020075870-A1	Organic electroluminescent materials and devices	2018-08-22

The molarity calculator equation

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

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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