chloro[(2,5-difluorophenyl)methyl]zinc

• ChemBase ID: 147440
• Molecular Formular: C7H5ClF2Zn
• Molecular Mass: 227.9444064
• Monoisotopic Mass: 225.93392628
• SMILES: c1cc(c(cc1F)C[Zn]Cl)F
• Canonical SMILES: Fc1ccc(cc1C[Zn]Cl)F
• InChI: InChI=1S/C7H5F2.ClH.Zn/c1-5-4-6(8)2-3-7(5)9;;/h2-4H,1H2;1H;/q;;+1/p-1
• InChIKey: WQLFJHGRJRUKJT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro[(2,5-difluorophenyl)methyl]zinc
• IUPAC Traditional name: chloro[(2,5-difluorophenyl)methyl]zinc
• Synonyms: 2,5-Difluorobenzylzinc chloride solution; 2,5-二氟苄基氯化锌 溶液

Database IDs

• CAS Number: 312692-89-0
• MDL Number: MFCD02093636
• PubChem SID: 162241628; 24873169
• PubChem CID: 4277138

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.336
• LogD (pH = 7.4): 2.336
• Log P: 2.336
• Molar Refractivity: 36.934 cm^3
• Polarizability: 16.982477 Å^3
• Polar Surface Area: 0.0 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: 0.982 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: 16-29-33-43.4
• RID/ADR: UN 2056 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: F2C6H3CH2ZnCl

DETAILS

Sigma Aldrich - 498092

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