chloro[(3-fluorophenyl)methyl]zinc

• ChemBase ID: 100539
• Molecular Formular: C7H6ClFZn
• Molecular Mass: 209.9539432
• Monoisotopic Mass: 207.94334809
• SMILES: [Zn](Cc1cc(ccc1)F)Cl
• Canonical SMILES: Cl[Zn]Cc1cccc(c1)F
• InChI: InChI=1S/C7H6F.ClH.Zn/c1-6-3-2-4-7(8)5-6;;/h2-5H,1H2;1H;/q;;+1/p-1
• InChIKey: SAXKTIUVDSJVLU-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro[(3-fluorophenyl)methyl]zinc
• IUPAC Traditional name: chloro[(3-fluorophenyl)methyl]zinc
• Synonyms: 3-Fluorobenzylzinc chloride solution; 3-Fluorobenzylzinc chloride; 3-氟苄基氯化锌 溶液

Database IDs

• CAS Number: 312693-06-4
• EC Number: 203-726-8
• MDL Number: MFCD01319878
• PubChem SID: 24873211; 162087402
• PubChem CID: 2778829

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.1965
• Log P: 2.1965
• Molar Refractivity: 36.7176 cm^3
• Polarizability: 17.10717 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1965

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C; -17.22°C
• Density: 0.965; 0.965 g/mL at 25 °C

Safety Information

• Storage Warning: Flammable/Harmful/Store under Nitrogen/Keep Cold
• 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: FC6H4CH2ZnCl

DETAILS

Sigma Aldrich - 498599

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