bromo(5-chlorothiophen-2-yl)zinc

• ChemBase ID: 148558
• Molecular Formular: C4H2BrClSZn
• Molecular Mass: 262.86068
• Monoisotopic Mass: 259.80405274
• SMILES: c1cc(sc1Cl)[Zn]Br
• Canonical SMILES: Clc1ccc(s1)[Zn]Br
• InChI: InChI=1S/C4H2ClS.BrH.Zn/c5-4-2-1-3-6-4;;/h1-2H;1H;/q;;+1/p-1
• InChIKey: JDNCCOADOLDIAQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(5-chlorothiophen-2-yl)zinc
• IUPAC Traditional name: bromo(5-chlorothiophen-2-yl)zinc
• Synonyms: 5-Chloro-2-thienylzinc bromide solution; 5-氯-2-噻吩基溴化锌 溶液

Database IDs

• CAS Number: 312624-22-9
• MDL Number: MFCD01317001
• PubChem SID: 24873152; 162242733
• PubChem CID: 5253012

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2287
• LogD (pH = 7.4): 2.2287
• Log P: 2.2287
• Molar Refractivity: 34.4399 cm^3
• Polarizability: 17.427517 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1 °F; -17 °C
• Density: 0.984 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2056
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-19-36/37
• Safety Statements: 16-26
• RID/ADR: UN 2056 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Empirical Formula (Hill Notation): C4H2BrClSZn

DETAILS

Sigma Aldrich - 497843

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