chlorobis(2-methylpropyl)alumane

• ChemBase ID: 137239
• Molecular Formular: C8H18AlCl
• Molecular Mass: 176.663058
• Monoisotopic Mass: 176.09124189
• SMILES: CC(C)C[Al](CC(C)C)Cl
• Canonical SMILES: CC(C[Al](CC(C)C)Cl)C
• InChI: InChI=1S/2C4H9.Al.ClH/c2*1-4(2)3;;/h2*4H,1H2,2-3H3;;1H/q;;+1;/p-1
• InChIKey: HQMRIBYCTLBDAK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorobis(2-methylpropyl)alumane
• IUPAC Traditional name: diisobutylaluminium chloride
• Synonyms: Diisobutylaluminum chloride; 二异丁基氯化铝

Database IDs

• CAS Number: 1779-25-5
• EC Number: 217-216-8
• MDL Number: MFCD00008927
• PubChem SID: 162231504; 24855551
• PubChem CID: 15688

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.8941
• LogD (pH = 7.4): 4.8941
• Log P: 4.8941
• Molar Refractivity: 45.1293 cm^3
• Polarizability: 19.765152 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -40 °C(lit.)
• Boiling Point: 152 °C/10 mmHg(lit.)
• Flash Point: -.4 °F; -18 °C
• Density: 0.905 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4506(lit.)

Safety Information

• RTECS: BD0560000
• European Hazard Symbols: Flammable (F); Highly toxic (T+)
• UN Number: 3394
• German water hazard class: 1
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 11-14/15-17-26-34
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H261-H314-H330
• GHS Precautionary statements: P210-P222-P231 + P232-P260-P280-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3394 4.2/PG 1
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 97%
• Linear Formula: [(CH3)2CHCH2]2AlCl

DETAILS

Sigma Aldrich - 256803

Packaging
1 kg in Sure-Pac™
100 g in Sure-Pac™
Application
Transmetalating reagent
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.