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Tetraisobutyl Orthotitanate

Catalog Number
ACM7425801-1
Product Name
Tetraisobutyl Orthotitanate
Structure
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CAS
7425-80-1
  • Product Overview
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Synonyms
ANW-41187; AC1L4WXL; TR-031482; CTK5D9620; AKOS025295686; Tetrakis(isobutoxy) titanium(IV); Tetraisobutyl Orthotitanate; DTXSID0064670; 7425-80-1; EINECS 231-061-3;
IUPAC Name
2-methylpropan-1-olate;titanium(4+);
Molecular Weight
340.327g/mol
Molecular Formula
C16H36O4Ti;
Canonical SMILES
CC(C)C[O-].CC(C)C[O-].CC(C)C[O-].CC(C)C[O-].[Ti+4];
InChI
InChI=1S/4C4H9O.Ti/c4*1-4(2)3-5;/h4*4H,3H2,1-2H3;/q4*-1;+4;
InChI Key
QUVMSYUGOKEMPX-UHFFFAOYSA-N;
Complexity
17.6
Covalently-Bonded Unit Count
5
EC Number
231-061-3
Exact Mass
340.209g/mol
H-Bond Acceptor
4
Heavy Atom Count
21
Monoisotopic Mass
340.209g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
92.2A^2
UN Number
2924
Application
Tetraisobutyl Orthotitanate is primarily utilized in chemical research due to its properties as a dark yellow, oily liquid with an alcohol-like odor. Although insoluble in water and sharing its density, it is highly flammable with a flash point of 81°F, and it can cause irritation or burns upon contact. This compound functions as an ester and engages in reactions with acids, producing heat, alcohols, and titanium oxide. Caution is advised when mixing with strong oxidizing acids, as these interactions can lead to vigorous, exothermic reactions capable of igniting reaction products. Additionally, the combination with caustic solutions generates heat, while the introduction of alkali metals and hydrides can produce flammable hydrogen, highlighting its reactive nature in various chemical processes.
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