iodo(2H3)methylmagnesium

• ChemBase ID: 150873
• Molecular Formular: CH3IMg
• Molecular Mass: 166.24399
• Monoisotopic Mass: 165.9129898
• SMILES: C[Mg]I
• Canonical SMILES: C[Mg]I
• InChI: InChI=1S/CH3.HI.Mg/h1H3;1H;/q;;+1/p-1
• InChIKey: AUPXBVDHVRZMIB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: iodo(^2H₃)methylmagnesium
• IUPAC Traditional name: iodo(^2H₃)methylmagnesium
• Synonyms: Trideutero-methylmagnesium iodide; Methyl-d3-magnesium iodide solution; 三氘代甲基碘化镁; 甲基-d3-碘化镁 溶液

Database IDs

• CAS Number: 41251-37-0
• MDL Number: MFCD00001027
• Beilstein Number: 3587273
• PubChem SID: 162245033; 24857634
• PubChem CID: 11217483

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.6147
• LogD (pH = 7.4): 0.6147
• Log P: 0.6147
• Molar Refractivity: 19.1209 cm^3
• Polarizability: 9.743348 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -40 °C; -40 °F
• Density: 0.871 g/mL at 25 °C
• Mass Shift: M+3

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 11-14/15-19-22-34-67
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H260-H302-H314-H336
• GHS Precautionary statements: P210-P223-P231 + P232-P261-P370 + P378-P422
• RID/ADR: UN 3399 4.3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Concentration: 1.0 M in diethyl ether
• Isotopic Purity: 99 atom % D
• Linear Formula: CD3MgI

DETAILS

Sigma Aldrich - 293091

Packaging
100 mL in Sure/Seal™
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.