chloro(3-fluoro-2-methylphenyl)magnesium

• ChemBase ID: 99525
• Molecular Formular: C7H6ClFMg
• Molecular Mass: 168.8789432
• Monoisotopic Mass: 167.99924779
• SMILES: Fc1cccc(c1C)[Mg]Cl
• Canonical SMILES: Cl[Mg]c1cccc(c1C)F
• InChI: InChI=1S/C7H6F.ClH.Mg/c1-6-4-2-3-5-7(6)8;;/h2-3,5H,1H3;1H;/q;;+1/p-1
• InChIKey: XVXJKZMOSQDWMQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(3-fluoro-2-methylphenyl)magnesium
• IUPAC Traditional name: chloro(3-fluoro-2-methylphenyl)magnesium
• Synonyms: 3-Fluoro-2-methylphenylmagnesium chloride 0.5M solution in THF; 3-Fluoro-2-methylphenylmagnesium chloride, 0.50 M in 2-MeTHF; 3-Fluoro-2-methylphenylmagnesium chloride solution; 3-氟-2-甲基苯基氯化镁, 0.50M 2-MeTHF溶液; 3-氟-2-甲苯基氯化镁 溶液

Database IDs

• CAS Number: 480424-74-6
• MDL Number: MFCD01311482; MFCD01211482
• PubChem SID: 162085788; 24880595
• PubChem CID: 16217251

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.0934
• LogD (pH = 7.4): 2.0934
• Log P: 2.0934
• Molar Refractivity: 36.8682 cm^3
• Polarizability: 15.6535425 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65-67 °C(lit.)
• Flash Point: 1.4 °F; -17 °C; -17°C
• Density: 0.938 g/mL at 25 °C(lit.)

Safety Information

• Storage Warning: Air & Moisture Sensitive; Corrosive/Flammable/Keep Cold/Store under argon
• European Hazard Symbols: Corrosive (C); Flammable (F); Irritant (Xi)
• UN Number: 2924; UN2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-14-19-34; 11-19-36/37/38
• Safety Statements: 16-26; 8-16-26-36/37-39-43-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H314-H318-EUH014; H225-H314-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501; P210-P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF; 0.50 M in 2-MeTHF
• Linear Formula: FC6H3(CH3)MgCl

DETAILS

Sigma Aldrich - 570818

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