chloro[(4-fluorophenyl)methyl]magnesium

• ChemBase ID: 95056
• Molecular Formular: C7H6ClFMg
• Molecular Mass: 168.8789432
• Monoisotopic Mass: 167.99924779
• SMILES: [Mg](Cc1ccc(cc1)F)Cl
• Canonical SMILES: Cl[Mg]Cc1ccc(cc1)F
• InChI: InChI=1S/C7H6F.ClH.Mg/c1-6-2-4-7(8)5-3-6;;/h2-5H,1H2;1H;/q;;+1/p-1
• InChIKey: PQDGQUPDDGUKLP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro[(4-fluorophenyl)methyl]magnesium
• IUPAC Traditional name: chloro[(4-fluorophenyl)methyl]magnesium
• Synonyms: 4-Fluorobenzylmagnesium chloride, 0.50M in 2-MeTHF; 4-Fluorobenzylmagnesium chloride 0.25M solution in THF; 4-Fluorobenzylmagnesium chloride; 4-Fluorobenzylmagnesium chloride solution; 4-氟苄基氯化镁, 0.50M 2-MeTHF 溶液; 4-氟苄基氯化镁; 4-氟苄基氯化镁 溶液

Database IDs

• CAS Number: 1643-73-8
• MDL Number: MFCD01319898
• PubChem SID: 24879998; 162081707; 24880140
• PubChem CID: 2778244

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: 15.708539 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 35 °C; 65 °C(lit.)
• Flash Point: <1.4 °F; <-17 °C; -22 °F; -30 °C
• Density: 0.742 g/mL at 25 °C; 0.910 g/mL at 25 °C(lit.)

Safety Information

• Storage Warning: Air & Moisture Sensitive; Corrosive/Flammable
• European Hazard Symbols: Corrosive (C); Flammable (F); Highly flammable (F+); Irritant (Xi); Harmful (Xn)
• UN Number: 2924; UN2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 1; 2; II
• Risk Statements: 11-14-19-34; 11-14-19-36/37/38; 12-14-19-22-36/38-67
• Safety Statements: 16-26; 8-9-16-20-23-26-30-33-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H302-H314-H336; H225-H314-H313; H225-H314-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2924 3/PG 1; UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.25 M in diethyl ether; 0.25 M in THF; 0.50M in 2-MeTHF
• Linear Formula: FC6H4CH2MgCl

DETAILS

Sigma Aldrich - 563927

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

Sigma Aldrich - 562016

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