chloro({[chloro(methyl)alumanyl]oxy})methylalumane

• ChemBase ID: 147701
• Molecular Formular: C2H6Al2Cl2O
• Molecular Mass: 170.937516
• Monoisotopic Mass: 169.94264743
• SMILES: C[Al](O[Al](C)Cl)Cl
• Canonical SMILES: C[Al](O[Al](Cl)C)Cl
• InChI: InChI=1S/2CH3.2Al.2ClH.O/h2*1H3;;;2*1H;/q;;2*+1;;;/p-2
• InChIKey: FKERZMDBJWNJKH-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro({[chloro(methyl)alumanyl]oxy})methylalumane
• IUPAC Traditional name: chloro({[chloro(methyl)alumanyl]oxy})methylalumane
• Synonyms: 1,3-Dichloro-1,3-dimethyldialuminoxane solution; 1,3-二氯-1,3-二甲基二铝氧烷 溶液

Database IDs

• CAS Number: 87043-37-6
• MDL Number: MFCD00274200
• PubChem SID: 162241886
• PubChem CID: 16685044

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0936
• LogD (pH = 7.4): 2.0936
• Log P: 2.0936
• Molar Refractivity: 25.5142 cm^3
• Polarizability: 13.966821 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 111 °C
• Flash Point: -11 °C; 12 °F
• Density: 0.883 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 11-14-23/24/25-34
• Safety Statements: 16-26-36/37/39-45
• RID/ADR: UN 3399 4.3/PG 1

Product Information

• Concentration: 0.5 M in toluene
• Linear Formula: [CH3Al(Cl)]2O

DETAILS

Sigma Aldrich - 414425

Packaging
Packaged under nitrogen in Sure/Seal™ bottles
Legal Information
Sure/Seal is a trademark of Sigma-Aldrich Co. LLC