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

• ChemBase ID: 148145
• Molecular Formular: C5H9BrO2Zn
• Molecular Mass: 246.40776
• Monoisotopic Mass: 243.90773353
• SMILES: C1COC(O1)CC[Zn]Br
• Canonical SMILES: Br[Zn]CCC1OCCO1
• InChI: InChI=1S/C5H9O2.BrH.Zn/c1-2-5-6-3-4-7-5;;/h5H,1-4H2;1H;/q;;+1/p-1
• InChIKey: MCHPKCUDPUMOJG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo[2-(1,3-dioxolan-2-yl)ethyl]zinc
• IUPAC Traditional name: bromo[2-(1,3-dioxolan-2-yl)ethyl]zinc
• Synonyms: 2-(1,3-Dioxolan-2-yl)]ethyl]zinc bromide solution; 2-(1,3-Dioxolan-2-yl)ethylzinc bromide, 0.5M in THF; 2-(1,3-二氧戊环-2-基)]乙基]溴化锌 溶液

Database IDs

• CAS Number: 307531-83-5
• MDL Number: MFCD02260129
• PubChem SID: 162242322; 24877983
• PubChem CID: 11368605

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6533
• LogD (pH = 7.4): 0.6533
• Log P: 0.6533
• Molar Refractivity: 33.7949 cm^3
• Polarizability: 17.056753 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 °F; -17 °C
• Density: 0.984; 0.984 g/mL at 25 °C

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); Harmful (Xn)
• UN Number: 2056; UN3399
• German water hazard class: 1
• Hazard Class: 3; 4.3
• Packing Group: 2; II
• Risk Statements: 11-15-19-34-37; 11-19-20/21/22-36/37/38
• Safety Statements: 16-26-33-36/37; 7/8-9-16-20-23-26-33-36/37/39-43-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Hazard statements: H224-H260-H314-H318-H335
• GHS Precautionary statements: P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501
• RID/ADR: UN 2056 3/PG 2
• 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): C5H9BrO2Zn

DETAILS

Sigma Aldrich - 533688

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