CAS 41114-59-4|Nysted reagent|bromo({[(bromozincio)methyl]zincio}methyl)zinc; tetrahydrofuran|bromo({[(bromozincio)methyl]zincio}methyl)zinc; oxolane|环-二溴二-μ-亚甲基[μ-(四氢呋喃)]三锌|cyclo-Dib...

Molecular Formula

C₆H₁₂Br₂OZn₃

Molecular Mass

456.10688

Exact Mass

449.712915

InChI

InChI=1S/C4H8O.2CH2.2BrH.3Zn/c1-2-4-5-3-1;;;;;;;/h1-4H2;2*1H2;2*1H;;;/q;;;;;;2*+1/p-2

InChIKey

CCTHTLJWXPUNGT-UHFFFAOYSA-L

Canonic Smiles

C1CCCO1.Br[Zn]C[Zn]C[Zn]Br

Isomeric Smiles

Br[Zn]C[Zn]C[Zn]Br.C1CCCO1

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.6108

LogD (pH = 7.4)

1.6108

Log P

1.6108

Molar Refractivity

26.423

Polarizability

21.17705

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

IUPAC Traditional name

bromo({[(bromozincio)methyl]zincio}methyl)zinc; tetrahydrofuran

Synonyms

Nysted reagent环-二溴二-μ-亚甲基[μ-(四氢呋喃)]三锌cyclo-Dibromodi-μ-methylene[μ-(tetrahydrofuran)]trizincNysted 试剂Nysted Reagentcyclo-Dibromodi-?-methylene[?-(tetrahydrofuran)]trizinc

IUPAC name

bromo({[(bromozincio)methyl]zincio}methyl)zinc; oxolane

CAS Number

Wikipedia Title

Chemspider ID

MDL Number

PubChem SID

Main Hazard

Flammable, may form explosive peroxides and reacts violently with water

Safety Statements

16-26-36

16-26

8-16-26-30-33-36/37-60

Risk Statements

11-14-19-22-36/37/38

11-19-36/37

European Hazard Symbols

Irritant (Xi)

Flammable (F)

Harmful (X)

RID/ADR

UN 3399 4.3/PG 2

MSDS Link

Download link

GHS Pictograms

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

GHS Hazard statements

H225-H318-H335

H225-H261-H351-H302-H315-H319-H335

Packing Group

GHS Precautionary statements

P210-P261-P280-P305+P351+P338

P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501A

Supplemental Hazard Statements

May form explosive peroxides.

German water hazard class

UN Number

3399

UN3399

GHS Signal Word

Danger

Hazard Class

4.3

TSCA Listed

否

Storage Warning

Air & Moisture Sensitive

Physical Property

Product Information

Empirical Formula (Hill Notation)

C6H12Br2OZn3

Concentration

20 wt. % suspension in THF

Purity

20% w/w suspension in THF

No Data Available

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Sigma Aldrich

381985

Application
Useful reagent for the methylenation of ketones and α-ketols.
Reactant for:
• Synthesis of amphidinolide T3 using a ring-closing metathesis and asymmetric dihydroxylation strategy1
• Methylenation of carbonyl compounds2
• Olefination reactions3
Packaging
100 g in glass bottle

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