Aluminum, tributyl- (1116-70-7)

The Tri-n-butylaluminium with the cas number 1116-70-7 is also called Tributylalane. Both the systematic name and IUPAC name are Tributylaluminum. Its EINECS registry number is 214-240-0. This chemical should be stored at water-free area.

Properties Computed from Structure: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 0; (3)Rotatable Bond Count: 9; (4)Exact Mass: 198.192814; (5)MonoIsotopic Mass: 198.192814; (6)Topological Polar Surface Area: 0; (7)Heavy Atom Count: 13; (8)Formal Charge: 0; (9)Complexity: 72.1; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 1.

Uses: This chemical can react with 3,5-dimethyl-isothiazole-4-carbaldehyde, to product 1-(3,5-dimethyl-4-isothiazolyl)-1-hydroxypentane. This reaction needs solvent benzene at heating condition. The reaction time is8.0 hours. The yield is 64%.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCC[Al](CCCC)CCCC
(2)InChI: InChI=1/3C4H9.Al/c3*1-3-4-2;/h3*1,3-4H2,2H3;/rC12H27Al/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3
(3)InChIKey: SQBBHCOIQXKPHL-AZMOWNLDAQ