Description
Useful additive for increased regio- and stereocontrol in aldol reactions. Storage below 25 °C may cause crystallization. Moving container to a warm location should remelt the solid (mp ~35 °C). Recrystallization occurs slowly. Thus, the liquid may be transferred using syringe techniques.
Synonyms
Chlorotitanium(IV) triisopropoxide, Titanium(IV) chloride triisopropoxide
IUPAC Name
chlorotitanium(3+);propan-2-olate;
Molecular Weight
261
Molecular Formula
TiCl(OC3H7)3
Canonical SMILES
CC(C)[O-].CC(C)[O-].CC(C)[O-].Cl[Ti+3];
InChI
1S/3C3H7O.ClH.Ti/c3*1-3(2)4;;/h3*3H,1-2H3;1H;/q3*-1;;+4/p-1
InChI Key
IFMWVBVPVXRZHE-UHFFFAOYSA-M
Melting Point
35-40 °C
Flash Point
22 °C(71.6 °F)
Purity
97%
Density
0.775 g/mL at 25 °C
Appearance
liquid
Storage
Flammables area
Complexity
12.8
Covalently-Bonded Unit Count
4
Exact Mass
260.066g/mol
H-Bond Acceptor
3
Heavy Atom Count
14
MDL Number
MFCD00009861
Monoisotopic Mass
260.066g/mol
Topological Polar Surface Area
69.2A^2
