bis(2-methylpropyl)alumane

• ChemBase ID: 127050
• Molecular Formular: C8H19Al
• Molecular Mass: 142.217998
• Monoisotopic Mass: 142.13021424
• SMILES: CC(C)C[AlH]CC(C)C
• Canonical SMILES: CC(C[AlH]CC(C)C)C
• InChI: InChI=1S/2C4H9.Al/c2*1-4(2)3;/h2*4H,1H2,2-3H3
• InChIKey: SIPUZPBQZHNSDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-methylpropyl)alumane
• IUPAC Traditional name: diisobutylaluminium hydride
• Synonyms: DIBAH; DIBAL; DiBAlH; DIBAL-H; Diisobutylaluminium hydride; Diisobutylaluminum hydride; Diisobutylaluminum hydride solution; 二异丁基氢化铝; 二异丁基氢化铝 溶液

Database IDs

• CAS Number: 1191-15-7
• EC Number: 214-729-9
• MDL Number: MFCD00008928
• Beilstein Number: 4123663
• PubChem SID: 162221373; 24855554; 24852859; 24852857; 24855553; 24855555; 24851561; 24851429; 24855556; 24855552; 24852858; 24852856; 24852861
• PubChem CID: 16682954
• Chemspider ID: 10430352
• Wikipedia Title: Diisobutylaluminium_hydride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8228
• LogD (pH = 7.4): 3.8228
• Log P: 3.8228
• Molar Refractivity: 39.485 cm^3
• Polarizability: 17.996649 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: hydrocarbon solvents
• Apperance: colorless liquid
• Melting Point: –80 °C
• Boiling Point: 116–118 °C/1 mmHg; 116-118 °C/1 mmHg(lit.); 65 °C
• Flash Point: -.4 °F; -1 °C; -1 °F; 1.4 °F; -17 °C; -18 °C; -23 °C; 30 °F; 39.2 °F; 4 °C; 40 °F; -9.4 °F
• Density: 0.701 g/mL at 25 °C; 0.731 g/mL at 25 °C; 0.781 g/mL at 25 °C; 0.798 g/cm^3; 0.798 g/mL at 25 °C(lit.); 0.846 g/mL at 25 °C; 0.858 g/mL at 25 °C; 0.866 g/mL at 25 °C; 1.22 g/mL at 20 °C; 1.23 g/mL at 25 °C

Safety Information

• RTECS: BD0710000
• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N); Toxic (T)
• UN Number: 3394; 3399
• German water hazard class: 1; 2; 3; nwg
• Hazard Class: 4.2; 4.3
• Packing Group: 1
• Risk Statements: 11-14/15-17-19-34-37; 11-14/15-17-22-34-37-48/20-51/53-62-65-67; 11-14/15-17-34-40; 11-14/15-17-34-48/20-51/53-62-65-67; 11-14/15-17-34-50/53-65-67; 11-14/15-23/24/25-34; 11-14/15-34; 11-14/15-34-40; 14/15-17-35; 63-11-14/15-17-34-35-48/20-65-67; 63-11-14/15-17-34-48/20-65-67
• Safety Statements: 16-26-27-36/37/39-45; 16-26-36/37/39-43-45; 16-26-36/37/39-43-45-62; 16-26-36/37/39-45; 26-36/37/39-43-45; 26-36/37/39-43-45-61-62; 9-16-26-36/37/39-43-45-61-62; 9-16-26-36/37/39-43-45-62
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• Main Hazard: ignites in air
• GHS Hazard statements: H225-H250-H260-H304-H314-H336-H361d-H373; H225-H250-H260-H314-H335; H225-H250-H261-H302-H304-H314-H335-H336-H361-H373-H411; H225-H250-H261-H304-H314-H336-H361d-H373; H225-H250-H261-H304-H314-H336-H361f-H373-H411; H225-H250-H261-H304-H314-H336-H410; H225-H250-H261-H314; H225-H250-H261-H314-H351
• GHS Precautionary statements: P210-P222-P223-P231 + P232-P370 + P378-P422; P210-P222-P231 + P232-P261-P273-P422; P210-P222-P231 + P232-P261-P280-P422; P210-P222-P231 + P232-P280-P305 + P351 + P338-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US); 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; UN 3399 4.3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.7-1.3 M in methylene chloride; 1.0 M in cyclohexane; 1.0 M in heptane; 1.0 M in hexanes; 1.0 M in methylene chloride; 1.0 M in THF; 1.0 M in toluene; 25 wt. % in toluene
• Grade: purum; reagent grade
• Linear Formula: [(CH3)2CHCH2]2AlH

DETAILS

Sigma Aldrich - 256811

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 - 215007

Application
Used in Pd-catalyzed reductive debromination of secondary alkyl bromides.1 O-Debenzylation and ring opening of perbenzylated furanosides.2 Convenient in situ generation of HZrCp2Cl from ZrCp2Cl2 and DIBAL-H.3
Packaging
18 L in Kilo-Lab™
4×25, 100, 800 mL in Sure/Seal™
View returnable container options.

Sigma Aldrich - 214981

Application
Used in Pd-catalyzed reductive debromination of secondary alkyl bromides.1 O-Debenzylation and ring opening of perbenzylated furanosides.2 Convenient in situ generation of HZrCp2Cl from ZrCp2Cl2 and DIBAL-H.3
Packaging
100, 800 mL in Sure/Seal™
18 L in Kilo-Lab™
View returnable container options.

Sigma Aldrich - 256846

Application
Used in Pd-catalyzed reductive debromination of secondary alkyl bromides.1 O-Debenzylation and ring opening of perbenzylated furanosides.2 Convenient in situ generation of HZrCp2Cl from ZrCp2Cl2 and DIBAL-H.3
Packaging
200 mL 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 - 256889

Application
Used in Pd-catalyzed reductive debromination of secondary alkyl bromides.1 O-Debenzylation and ring opening of perbenzylated furanosides.2 Convenient in situ generation of HZrCp2Cl from ZrCp2Cl2 and DIBAL-H.3
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 - 256870

Application
Used in Pd-catalyzed reductive debromination of secondary alkyl bromides.1 O-Debenzylation and ring opening of perbenzylated furanosides.2 Convenient in situ generation of HZrCp2Cl from ZrCp2Cl2 and DIBAL-H.3
Packaging
1.8 L in Sure-Pac™
200 mL 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 - 214965

Application
Used in Pd-catalyzed reductive debromination of secondary alkyl bromides.1 O-Debenzylation and ring opening of perbenzylated furanosides.2 Convenient in situ generation of HZrCp2Cl from ZrCp2Cl2 and DIBAL-H.3
Packaging
100, 800 mL in Sure/Seal™

Sigma Aldrich - 38150

Application
Used in Pd-catalyzed reductive debromination of secondary alkyl bromides.1 O-Debenzylation and ring opening of perbenzylated furanosides.2 Convenient in situ generation of HZrCp2Cl from ZrCp2Cl2 and DIBAL-H.3
reducing agent

Sigma Aldrich - 256838

Application
Used in Pd-catalyzed reductive debromination of secondary alkyl bromides.1 O-Debenzylation and ring opening of perbenzylated furanosides.2 Convenient in situ generation of HZrCp2Cl from ZrCp2Cl2 and DIBAL-H.3
Packaging
200 mL 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 - 214949

Application
Used in Pd-catalyzed reductive debromination of secondary alkyl bromides.1 O-Debenzylation and ring opening of perbenzylated furanosides.2 Convenient in situ generation of HZrCp2Cl from ZrCp2Cl2 and DIBAL-H.3
Packaging
100, 800 mL in Sure/Seal™

Sigma Aldrich - 190306

Application
Used in Pd-catalyzed reductive debromination of secondary alkyl bromides.1 O-Debenzylation and ring opening of perbenzylated furanosides.2 Convenient in situ generation of HZrCp2Cl from ZrCp2Cl2 and DIBAL-H.3
Packaging
100, 800 mL in Sure/Seal™

Sigma Aldrich - 192724

Application
Used in Pd-catalyzed reductive debromination of secondary alkyl bromides.1 O-Debenzylation and ring opening of perbenzylated furanosides.2 Convenient in situ generation of HZrCp2Cl from ZrCp2Cl2 and DIBAL-H.3
Packaging
100, 700 g in Sure/Seal™
7, 15 kg in Kilo-Lab™
View returnable container options.

Sigma Aldrich - 256854

Application
Used in Pd-catalyzed reductive debromination of secondary alkyl bromides.1 O-Debenzylation and ring opening of perbenzylated furanosides.2 Convenient in situ generation of HZrCp2Cl from ZrCp2Cl2 and DIBAL-H.3
Packaging
1.8 L in Sure-Pac™
200 mL 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 - 214973

Application
Used in Pd-catalyzed reductive debromination of secondary alkyl bromides.1 O-Debenzylation and ring opening of perbenzylated furanosides.2 Convenient in situ generation of HZrCp2Cl from ZrCp2Cl2 and DIBAL-H.3
Packaging
1 L in Sure/Seal™
100, 800 mL in Sure/Seal™