chloro[(2-chloro-6-fluorophenyl)methyl]zinc

• ChemBase ID: 93968
• Molecular Formular: C7H5Cl2FZn
• Molecular Mass: 244.3990032
• Monoisotopic Mass: 241.90437574
• SMILES: Fc1cccc(c1C[Zn]Cl)Cl
• Canonical SMILES: Cl[Zn]Cc1c(F)cccc1Cl
• InChI: InChI=1S/C7H5ClF.ClH.Zn/c1-5-6(8)3-2-4-7(5)9;;/h2-4H,1H2;1H;/q;;+1/p-1
• InChIKey: FJYMMQGYFJMZSE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro[(2-chloro-6-fluorophenyl)methyl]zinc
• IUPAC Traditional name: chloro[(2-chloro-6-fluorophenyl)methyl]zinc
• Synonyms: 2-Chloro-6-fluorobenzylzinc chloride solution; 2-Chloro-6-fluorobenzylzinc chloride; 2-氯-6-氟苄基氯化锌 溶液

Database IDs

• CAS Number: 307531-98-2
• MDL Number: MFCD02260133
• PubChem SID: 24878085; 162080623
• PubChem CID: 2778146

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7145
• LogD (pH = 7.4): 2.7145
• Log P: 2.7145
• Molar Refractivity: 41.5224 cm^3
• Polarizability: 19.096764 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: 0.991 g/mL at 25 °C

Safety Information

• Storage Warning: Flammable
• 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
• 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
• Linear Formula: ClC6H3(F)CH2ZnCl

DETAILS

Sigma Aldrich - 535257

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