chloro[(4-fluorophenyl)methyl]zinc

• ChemBase ID: 94443
• Molecular Formular: C7H6ClFZn
• Molecular Mass: 209.9539432
• Monoisotopic Mass: 207.94334809
• SMILES: [Zn](Cc1ccc(cc1)F)Cl
• Canonical SMILES: Cl[Zn]Cc1ccc(cc1)F
• InChI: InChI=1S/C7H6F.ClH.Zn/c1-6-2-4-7(8)5-3-6;;/h2-5H,1H2;1H;/q;;+1/p-1
• InChIKey: STBQRATYGMXEHR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro[(4-fluorophenyl)methyl]zinc
• IUPAC Traditional name: chloro[(4-fluorophenyl)methyl]zinc
• Synonyms: 4-Fluorobenzylzinc chloride solution; 4-Fluorobenzylzinc chloride, 0.5M in THF; 4-Fluorobenzylzinc chloride; 4-氟苄基氯化锌 溶液

Database IDs

• CAS Number: 312693-07-5
• MDL Number: MFCD01319879
• PubChem SID: 162081097; 24873212
• PubChem CID: 2778179

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1965
• LogD (pH = 7.4): 2.1965
• Log P: 2.1965
• Molar Refractivity: 36.7176 cm^3
• Polarizability: 17.107176 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.952; 0.952 g/mL at 25 °C

Safety Information

• Storage Warning: Air Sensitive; Flammable
• European Hazard Symbols: Corrosive (C); Flammable (F); Irritant (Xi)
• UN Number: 2056; UN3399
• German water hazard class: 3
• Hazard Class: 3; 4.3
• Packing Group: 2; II
• Risk Statements: 11-15-19-34-37; 19-36/37
• Safety Statements: 26; 7/8-9-16-20-23-26-33-36/37/39-43-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H224-H260-H314-H318-H335; H319-H335
• GHS Precautionary statements: P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501; 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; 0.5M in THF
• Packaging: packaged under Argon in resealable ChemSeal? bottles
• Linear Formula: FC6H4CH2ZnCl

DETAILS

Sigma Aldrich - 498602

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