tris(2-methylpropyl)alumane

• ChemBase ID: 129999
• Molecular Formular: C12H27Al
• Molecular Mass: 198.324318
• Monoisotopic Mass: 198.19281449
• SMILES: CC(C)C[Al](CC(C)C)CC(C)C
• Canonical SMILES: CC(C[Al](CC(C)C)CC(C)C)C
• InChI: InChI=1S/3C4H9.Al/c3*1-4(2)3;/h3*4H,1H2,2-3H3
• InChIKey: MCULRUJILOGHCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(2-methylpropyl)alumane
• IUPAC Traditional name: triisobutylaluminium
• Synonyms: TIBA solution; Triisobutylaluminum solution; Triisobutylaluminum; Aluminumtriisobutanide; TIBA; Triisobutylaluminium; TIBA 溶液; 三异丁基铝 溶液; 三(2-甲基丙基)铝; 三异丁基铝

Database IDs

• CAS Number: 100-99-2
• EC Number: 202-906-3
• MDL Number: MFCD00008929
• Beilstein Number: 3587328
• PubChem SID: 24866529; 24855573; 24851560; 162224285; 24855574
• PubChem CID: 16682931
• Wikipedia Title: Triisobutylaluminium

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4982
• LogD (pH = 7.4): 5.4982
• Log P: 5.4982
• Molar Refractivity: 58.0275 cm^3
• Polarizability: 25.383938 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Colorless liquid; liquid; Liquid
• Melting Point: 4 - 6°C; 4-6 °C(lit.)
• Boiling Point: 68-69 °C; 86 °C/10 mmHg(lit.); 86°C
• Flash Point: -.4 °F; -14.8 °F; -18 °C; -26 °C
• Density: 0.695 g/mL at 25 °C; 0.70 g/mL at 20 °C; 0.782; 0.786 g/mL at 25 °C; 0.786 g/mL at 25 °C(lit.); 0.848 g/mL at 25 °C
• Refractive Index: n20/D 1.4494(lit.)

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N); X
• UN Number: 3394; UN3399
• German water hazard class: 2; nwg
• Hazard Class: 4.2; 4.3
• Packing Group: 1; I
• Risk Statements: 11-14-17-34-48/20-51/53-62-65-67; 11-14-17-34-48/20-62-51/53-65-67; 14-17-34; 14-17-34-48/20-51/53-62-65-67; 63-11-14-17-34-48/20-65-67
• Safety Statements: 16-26-36/37/39-45-61-62; 16-26-36/37/39-45-62; 16-43-45; 26-36/37/39-45-61-62; 8-9-16-23-26-30-36/37/39-43-45-57-60
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H260-H304-H314-H332-H336-H361d-H371-H373; H225-H250-H260-H304-H314-H336-H361d-H373; H225-H250-H260-H304-H314-H336-H361f-H373-H411; H225-H250-H260-H304-H361-H373-H314-H336-H411; H250-H260-H304-H314-H336-H361f-H373-H411; H250-H260-H314
• GHS Precautionary statements: P210-P222-P223-P231 + P232-P370 + P378-P422; P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P422A-P501A; P222-P223-P231 + P232-P261-P370 + P378-P422; P222-P223-P231 + P232-P280-P370 + P378-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: 25% w/w in hexane
• Concentration: ~28% in hexane; 1.0 M in hexanes; 25 wt. % in toluene
• Grade: technical
• Linear Formula: [(CH3)2CHCH2]3Al

DETAILS

Sigma Aldrich - 257206

Packaging
1 kg in Sure-Pac™
100, 500 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 are recommended.

Sigma Aldrich - 423793

Packaging
100, 800 mL in Sure/Seal™

Sigma Aldrich - 257214

Packaging
1 kg in Sure-Pac™
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.

Sigma Aldrich - 192716

Packaging
100 g in Sure/Seal™