3-(chloromagnesio)-N,N-bis(trimethylsilyl)aniline

• ChemBase ID: 151641
• Molecular Formular: C12H22ClMgNSi2
• Molecular Mass: 296.23878
• Monoisotopic Mass: 295.08297215
• SMILES: C[Si](C)(C)N(c1cccc(c1)[Mg]Cl)[Si](C)(C)C
• Canonical SMILES: Cl[Mg]c1cccc(c1)N([Si](C)(C)C)[Si](C)(C)C
• InChI: InChI=1S/C12H22NSi2.ClH.Mg/c1-14(2,3)13(15(4,5)6)12-10-8-7-9-11-12;;/h7-8,10-11H,1-6H3;1H;/q;;+1/p-1
• InChIKey: WTHNLZGMHQKYRT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(chloromagnesio)-N,N-bis(trimethylsilyl)aniline
• IUPAC Traditional name: 3-(chloromagnesio)-N,N-bis(trimethylsilyl)aniline
• Synonyms: 3-[Bis(trimethylsilyl)amino]phenylmagnesium chloride, 1M in 2-MeTHF; 3-[Bis(trimethylsilyl)amino]phenylmagnesium chloride solution; 3-[双(三甲基硅烷)胺基]苯基溴化镁,1M 2-甲基四氢呋喃溶液; 3-[双(三甲基甲硅烷基)氨基]苯基氯化镁 溶液

Database IDs

• CAS Number: 174484-84-5
• MDL Number: MFCD00134370
• Beilstein Number: 7706704
• PubChem SID: 162245791; 24863141
• PubChem CID: 4191284

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9488986
• LogD (pH = 7.4): 3.9489
• Log P: 3.9489
• Molar Refractivity: 69.7259 cm^3
• Polarizability: 32.230083 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 67 °C
• Flash Point: 10.4 °F; -12 °C
• Density: 0.954 g/mL at 25 °C

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924; UN2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-14-19-34; 11-14-19-34-37
• Safety Statements: 16-26-36/37/39-45; 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: 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., Reacts violently with water.

Product Information

• Concentration: 1.0 M in THF; 1M in 2-MeTHF
• Linear Formula: [(CH3)3Si]2NC6H4MgCl

DETAILS

Sigma Aldrich - 372005

Packaging
100 mL in Sure/Seal™