bromo[2-(1,3-dioxan-2-yl)ethyl]zinc

• ChemBase ID: 148872
• Molecular Formular: C6H11BrO2Zn
• Molecular Mass: 260.43434
• Monoisotopic Mass: 257.92338359
• SMILES: C1COC(OC1)CC[Zn]Br
• Canonical SMILES: Br[Zn]CCC1OCCCO1
• InChI: InChI=1S/C6H11O2.BrH.Zn/c1-2-6-7-4-3-5-8-6;;/h6H,1-5H2;1H;/q;;+1/p-1
• InChIKey: WOZWJFGCLWRKPJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo[2-(1,3-dioxan-2-yl)ethyl]zinc
• IUPAC Traditional name: bromo[2-(1,3-dioxan-2-yl)ethyl]zinc
• Synonyms: 2-(1,3-Dioxan-2-yl)ethylzinc bromide, 0.5M in THF; 2-(1,3-Dioxan-2-yl)ethylzinc bromide solution; 2-(1,3-二氧杂环己基)乙基溴化锌 溶液

Database IDs

• CAS Number: 307531-82-4
• MDL Number: MFCD02260128
• PubChem SID: 24877971; 162243044
• PubChem CID: 16216971

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7054
• LogD (pH = 7.4): 0.7054
• Log P: 0.7054
• Molar Refractivity: 38.6603 cm^3
• Polarizability: 18.823475 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1.4 °F; -17 °C
• Density: 0.982; 0.982 g/mL at 25 °C

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2056; UN3399
• German water hazard class: 3
• Hazard Class: 3; 4.3
• Packing Group: 2; II
• Risk Statements: 11-14-19-34-37; 11-15-19-34-37
• Safety Statements: 16-26-36/37/39-45; 7/8-9-16-20-23-26-33-36/37/39-43-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H260-H314-H318-H335; H225-H314-H335
• GHS Precautionary statements: P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501; P210-P261-P280-P305 + P351 + P338-P310
• RID/ADR: UN 2056 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF; 0.5M in THF
• Packaging: packaged under Argon in resealable ChemSeal? bottles
• Empirical Formula (Hill Notation): C6H11BrO2Zn

DETAILS

Sigma Aldrich - 533556

Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.