chloro({[chloro(ethyl)alumanyl]oxy})ethylalumane

• ChemBase ID: 138053
• Molecular Formular: C4H10Al2Cl2O
• Molecular Mass: 198.990676
• Monoisotopic Mass: 197.97394756
• SMILES: CC[Al](O[Al](CC)Cl)Cl
• Canonical SMILES: CC[Al](O[Al](CC)Cl)Cl
• InChI: InChI=1S/2C2H5.2Al.2ClH.O/c2*1-2;;;;;/h2*1H2,2H3;;;2*1H;/q;;2*+1;;;/p-2
• InChIKey: ZSUGELSZNYCYFC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro({[chloro(ethyl)alumanyl]oxy})ethylalumane
• IUPAC Traditional name: chloro({[chloro(ethyl)alumanyl]oxy})ethylalumane
• Synonyms: 1,3-Dichloro-1,3-diethyldialuminoxane solution; 1,3-二氯-1,3-二乙基二铝氧烷 溶液

Database IDs

• CAS Number: 10301-15-2
• MDL Number: MFCD00192006
• PubChem SID: 162232312
• PubChem CID: 16685115

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9078
• LogD (pH = 7.4): 2.9078
• Log P: 2.9078
• Molar Refractivity: 34.8454 cm^3
• Polarizability: 17.58024 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 111 °C
• Flash Point: -11 °C; 12 °F
• Density: 0.885 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 3399
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 11-14-23/24/25-34
• Safety Statements: 16-26-36/37/39-43.11-45
• RID/ADR: UN 3399 4.3/PG 1

Product Information

• Linear Formula: {[C2H5Al(Cl)]2O}n

DETAILS

Sigma Aldrich - 424234

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