Tri-n-butylaluminium - 0.7 M solution in heptane , CAS No.1116-70-7

CAS: 1116-70-7 Cat. No.: T140703 Molecular Weight: 198.32 EC Number: 214-240-0 PubChem CID: 16682950

GRADE & PURITY 0.7 M solution in heptane

Synonyms

Aluminum, tributyl-|Tributylaluminum|TRI-N-BUTYLALUMINUM|Tributylaluminium|1116-70-7|tributylalumane|6VB9URN2FA|TRIBUTYL ALUMINUM|UNII-6VB9URN2FA|HSDB 5784|EINECS 214-240-0|TRIBUTYLALANE|EC 214-240-0|DTXSID9027362|SQBBHCOIQXKPHL-UHFFFAOYSA-N|TRI-N-BUTYLAL

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyms

Aluminum, tributyl- | Tributylaluminum | TRI-N-BUTYLALUMINUM | Tributylaluminium | 1116-70-7 | tributylalumane | 6VB9URN2FA | TRIBUTYL ALUMINUM | UNII-6VB9URN2FA | HSDB 5784 | EINECS 214-240-0 | TRIBUTYLALANE | EC 214-240-0 | DTXSID9027362 | SQBBHCOIQXKPHL-UHFFFAOYSA-N | TRI-N-BUTYLAL

Specifications & Purity

0.7 M solution in heptane

Storage

Store at 2-8°C

Shipped In

Wet ice, FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CCCC[Al](CCCC)CCCC
• IUPAC Name: tributylalumane
• InChIKey: SQBBHCOIQXKPHL-UHFFFAOYSA-N
• INCHI: 1S/3C4H9.Al/c3*1-3-4-2;/h3*1,3-4H2,2H3
• Isomeric SMILES: CCCC[Al](CCCC)CCCC
• PubChem CID: 16682950
• UN Number: 3051
• Packing Group: I
• Molecular Weight: 198.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organo-post-transition metal compounds
      • Subclass Organoaluminium compounds
        • Level5 Alkylaluminium and derivatives
          • Level6 Trialkylaluminiums

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organo-post-transition metal compounds
• Subclass: Organoaluminium compounds
• Intermediate Tree Nodes: Alkylaluminium and derivatives
• Direct Parent: Trialkylaluminiums
• Alternative Parents: Organic salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylaluminium - Hydrocarbon derivative - Organic salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylaluminiums. These are organoaluminium compounds where the aluminium atom is substituted with three alkyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Air sensitive；Moisture sensitive
• Molecular Weight: 198.320 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 198.193 Da
• Monoisotopic Mass: 198.193 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 72.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3

References

1. Guangshui Tu, Chong Wang, Shengyou Chen, Qian Wang, Zhenxue Liu, Haotian Zhou, Chunyu Feng, Handou Zheng, Haiyang Gao.  (2025)  Immobilization of Pyridylamido Hafnium Catalyst on MgCl2-Based Support for Slurry Homo- and Copolymerization of 4-Methyl-1-pentene.  POLYMER,      [PMID:] [10.1016/j.polymer.2025.129208]