chloro(2-methyl-2-phenylpropyl)magnesium

• ChemBase ID: 150423
• Molecular Formular: C10H13ClMg
• Molecular Mass: 192.96822
• Monoisotopic Mass: 192.0556198
• SMILES: CC(C)(C[Mg]Cl)c1ccccc1
• Canonical SMILES: Cl[Mg]CC(c1ccccc1)(C)C
• InChI: InChI=1S/C10H13.ClH.Mg/c1-10(2,3)9-7-5-4-6-8-9;;/h4-8H,1H2,2-3H3;1H;/q;;+1/p-1
• InChIKey: BXKYFONHSSFLKR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(2-methyl-2-phenylpropyl)magnesium
• IUPAC Traditional name: chloro(2-methyl-2-phenylpropyl)magnesium
• Synonyms: 2-Methyl-2-phenylpropylmagnesium chloride solution; 2-甲基-2-苯丙基氯化镁 溶液

Database IDs

• CAS Number: 35293-35-7
• MDL Number: MFCD00075586
• PubChem SID: 162244584; 24866318
• PubChem CID: 118802

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.217
• LogD (pH = 7.4): 3.217
• Log P: 3.217
• Molar Refractivity: 50.1259 cm^3
• Polarizability: 21.441633 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 34.6 °C
• Flash Point: -16.6 °F; -27 °C
• Density: 0.766 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Highly flammable (F+)
• UN Number: 2924
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 1
• Risk Statements: 12-14-19-22-34-67
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H302-H314-H336
• 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)
• RID/ADR: UN 2924 3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 0.5 M in diethyl ether
• Linear Formula: C6H5C(CH3)2CH2MgCl

DETAILS

Sigma Aldrich - 420204

Packaging
100, 800 mL in Sure/Seal™