bromo[4-(methylsulfanyl)phenyl]zinc

• ChemBase ID: 137199
• Molecular Formular: C7H7BrSZn
• Molecular Mass: 268.47948
• Monoisotopic Mass: 265.87432522
• SMILES: CSc1ccc(cc1)[Zn]Br
• Canonical SMILES: CSc1ccc(cc1)[Zn]Br
• InChI: InChI=1S/C7H7S.BrH.Zn/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q;;+1/p-1
• InChIKey: DSOIVHGACAXYQF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo[4-(methylsulfanyl)phenyl]zinc
• IUPAC Traditional name: bromo[4-(methylsulfanyl)phenyl]zinc
• Synonyms: 4-(Methylthio)phenylzinc bromide solution; 4-(甲硫基)苯基溴化锌 溶液

Database IDs

• CAS Number: 307496-24-8
• MDL Number: MFCD01863740
• PubChem SID: 162231464; 24874098
• PubChem CID: 4229822

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8476
• LogD (pH = 7.4): 2.8476
• Log P: 2.8476
• Molar Refractivity: 46.9684 cm^3
• Polarizability: 21.27821 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1 °F; -17 °C
• Density: 1.002 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: 19-22-36/38
• Safety Statements: 16-26-33-36
• RID/ADR: UN 2056 3/PG 2

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: CH3SC6H4ZnBr

DETAILS

Sigma Aldrich - 520225

Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.