chloro(phenyl)magnesium

• ChemBase ID: 148734
• Molecular Formular: C6H5ClMg
• Molecular Mass: 136.8619
• Monoisotopic Mass: 135.99301954
• SMILES: c1ccc(cc1)[Mg]Cl
• Canonical SMILES: Cl[Mg]c1ccccc1
• InChI: InChI=1S/C6H5.ClH.Mg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1
• InChIKey: GQONLASZRVFGHI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(phenyl)magnesium
• IUPAC Traditional name: phenylmagnesium chloride
• Synonyms: Phenylmagnesium chloride solution; 苯基氯化镁 溶液

Database IDs

• CAS Number: 100-59-4
• MDL Number: MFCD00000464
• Beilstein Number: 3587900
• PubChem SID: 24855570; 24853438; 162242909
• PubChem CID: 7513

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.4867
• LogD (pH = 7.4): 1.4867
• Log P: 1.4867
• Molar Refractivity: 31.6106 cm^3
• Polarizability: 14.173318 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: ~1.02 g/mL at 20 °C; 1.042 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-19-34-37
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314-H335
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, 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.

Product Information

• Concentration: ~2.0 M in THF; 2.0 M in THF
• Grade: technical
• Linear Formula: C6H5MgCl

DETAILS

Sigma Aldrich - 257125

Other Notes
Storage below 25°C may cause formation of crystalline magnesium salts. Moving container to a warm location and occasional gentle swirling should redissolve the solid
Packaging
200 mL in Sure-Pac™
Recommended products
Angled septum-inlet adapter Z118206 or straight septum-inlet adapter, 6mm I.D. inlet, Z118141 or straight septum-inlet adapter, 13mm I.D. inlet, Z118192 is recommended.

Sigma Aldrich - 224448

Other Notes
Storage below 25°C may cause formation of crystalline magnesium salts. Moving container to a warm location and occasional gentle swirling should redissolve the solid
Packaging
100, 800 mL in Sure/Seal™
8, 18 L in Kilo-Lab™
View returnable container options.