structure of Triisobutylaluminum

Triisobutylaluminum

CAS No.: 100-99-2
M. Wt: 198.324
M. Fa: C12H27Al
InChI Key: MCULRUJILOGHCJ-UHFFFAOYSA-N
Appearance: White to Light yellow to Light orange powder to crystal

Names and Identifiers of Triisobutylaluminum

CAS Number

100-99-2

EC Number

202-906-3

IUPAC Name

tris(2-methylpropyl)alumane

InChI

InChI=1S/3C4H9.Al/c3*1-4(2)3;/h3*4H,1H2,2-3H3;

InChIKey

MCULRUJILOGHCJ-UHFFFAOYSA-N

Canonical SMILES

CC(C)C[Al](CC(C)C)CC(C)C

UNII

09P2THV2X4

Physical and chemical properties of Triisobutylaluminum

Boiling Point

Boiling point: 212 °C at 1 atm.

BRN

3587328

Decomposition

When heated to decomposition, it emits acrid smoke and irritating fumes.

Density

0.781 @ 25 °C

Exact Mass

198.192810

Exposure Limits

ACGIH: TWA 50 ppm (Skin)
OSHA: TWA 500 ppm(1800 mg/m3)
NIOSH: IDLH 1100 ppm; TWA 50 ppm(180 mg/m3)

Flash Point

-23 °C (closed cup)

Index of Refraction

1.4494

LogP

4.83000

Melting Point

-5.6 °C (freezing point)

Merck

14,326

Molecular Formula

C12H27Al

Molecular Weight

198.324

Sensitivity

Air & Moisture Sensitive

Stability

Undiluted material is of relatively low thermal stability (decomposes above 50 °C).

Vapour Pressure

1 mm Hg @ 47 °C

Water Solubility

reacts

Safety Information of Triisobutylaluminum

Pictograms

Signal Word

Danger

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of Triisobutylaluminum

Triisobutylaluminium has several industrial applications:

  • Polymer Production: It is utilized in the synthesis of polymers due to its ability to facilitate reactions that lead to the formation of linear chains.
  • Organic Synthesis: It serves as a reagent for producing various organic compounds, particularly in the formation of alcohols and olefins.
  • Additive in Hydrocarbon Fuels: Research indicates its potential as an additive to enhance the combustion characteristics of liquid hydrocarbons.

Retrosynthesis analysis of Triisobutylaluminum

  • Route#1

    Cas:24470-76-6
    Cas:7429-90-5
    Cas:100-99-2
  • Route#2

    Cas:7446-70-0
    Cas:920-36-5
    Cas:100-99-2
  • Route#3

    Cas:24470-76-6
    Cas:100-99-2