bromo[5-(1,3-dioxolan-2-yl)thiophen-2-yl]zinc

• ChemBase ID: 147818
• Molecular Formular: C7H7BrO2SZn
• Molecular Mass: 300.47828
• Monoisotopic Mass: 297.86415446
• SMILES: c1cc(sc1C1OCCO1)[Zn]Br
• Canonical SMILES: Br[Zn]c1ccc(s1)C1OCCO1
• InChI: InChI=1S/C7H7O2S.BrH.Zn/c1-2-6(10-5-1)7-8-3-4-9-7;;/h1-2,7H,3-4H2;1H;/q;;+1/p-1
• InChIKey: WTDCLAGWBXSEGC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo[5-(1,3-dioxolan-2-yl)thiophen-2-yl]zinc
• IUPAC Traditional name: bromo[5-(1,3-dioxolan-2-yl)thiophen-2-yl]zinc
• Synonyms: 5-(1,3-Dioxolan-2-yl)-2-thienylzinc bromide solution; 5-(1,3-二氧戊环-2-基)-2-噻吩基溴化锌 溶液

Database IDs

• CAS Number: 307531-84-6
• MDL Number: MFCD02260130
• PubChem SID: 24877985; 162242001
• PubChem CID: 16216975

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6774
• LogD (pH = 7.4): 1.6774
• Log P: 1.6774
• Molar Refractivity: 45.6385 cm^3
• Polarizability: 21.611065 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1 °F; -17 °C
• Density: 1.017 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 2056
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-19-20/21/22-36/37/38
• Safety Statements: 16-26-33-36/37
• RID/ADR: UN 2056 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Empirical Formula (Hill Notation): C7H7BrO2SZn

DETAILS

Sigma Aldrich - 533696

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