dichloro(2-methylpropyl)alumane

• ChemBase ID: 137363
• Molecular Formular: C4H9AlCl2
• Molecular Mass: 155.001798
• Monoisotopic Mass: 153.98966928
• SMILES: CC(C)C[Al](Cl)Cl
• Canonical SMILES: CC(C[Al](Cl)Cl)C
• InChI: InChI=1S/C4H9.Al.2ClH/c1-4(2)3;;;/h4H,1H2,2-3H3;;2*1H/q;+2;;/p-2
• InChIKey: NMVXHZSPDTXJSJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(2-methylpropyl)alumane
• IUPAC Traditional name: dichloro(2-methylpropyl)alumane
• Synonyms: Isobutylaluminum dichloride; 二氯异丁基铝

Database IDs

• CAS Number: 1888-87-5
• EC Number: 217-563-5
• MDL Number: MFCD00013583
• PubChem SID: 162231626; 24865259
• PubChem CID: 74679

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8242
• LogD (pH = 7.4): 2.8242
• Log P: 2.8242
• Molar Refractivity: 31.8795 cm^3
• Polarizability: 14.298696 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -30 °C(lit.)
• Boiling Point: 242 °C(lit.)
• Density: 1.12 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.46(lit.)
• Vapor Pressure: 0.02 mmHg ( 21.1 °C)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3394
• German water hazard class: 1
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 14-17-34
• Safety Statements: 6.2-16-24-26-36/37/39-45
• RID/ADR: UN 3394 4.2/PG 1

Product Information

• Purity: 97%
• Linear Formula: (CH3)2CHCH2AlCl2

DETAILS

Sigma Aldrich - 404608

Packaging
100 g in Sure-Pac™
Recommended products
Angled septum-inlet adapter Z118206 or straight septum-inlet adapter, 6mm I.D. inlet, Z118141 or straight septum-inlet adapter, 13mm I.D. inlet, Z118192 is recommended.