bromo[(3,5-difluorophenyl)methyl]zinc

• ChemBase ID: 97384
• Molecular Formular: C7H5BrF2Zn
• Molecular Mass: 272.3954064
• Monoisotopic Mass: 269.8834106
• SMILES: [Zn](Cc1cc(cc(c1)F)F)Br
• Canonical SMILES: Br[Zn]Cc1cc(F)cc(c1)F
• InChI: InChI=1S/C7H5F2.BrH.Zn/c1-5-2-6(8)4-7(9)3-5;;/h2-4H,1H2;1H;/q;;+1/p-1
• InChIKey: GCVAILFVPCDSSW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo[(3,5-difluorophenyl)methyl]zinc
• IUPAC Traditional name: bromo[(3,5-difluorophenyl)methyl]zinc
• Synonyms: 3,5-Difluorobenzylzinc bromide; 3,5-Difluorobenzylzinc bromide solution; 3,5-二氟苄基溴化锌 溶液

Database IDs

• CAS Number: 308796-30-7
• EC Number: 203-726-8
• MDL Number: MFCD01311400
• PubChem SID: 24873284; 162083994
• PubChem CID: 2778328

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6366
• LogD (pH = 7.4): 2.6366
• Log P: 2.6366
• Molar Refractivity: 39.5329 cm^3
• Polarizability: 18.073742 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 0.982 g/mL at 25 °C

Safety Information

• Storage Warning: Flammable
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2056
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-19-36/37
• Safety Statements: 16-29-33
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• RID/ADR: UN 2056 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: F2C6H3CH2ZnBr

DETAILS

Sigma Aldrich - 499471

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