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Titanium (IV) Chloride THF Complex

CAT: 0565-37139-02Size: 25 gDry Ice: NoHazardous: No
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CAT#:0565-37139-02Size:25 g
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Description
Part A
CAS Number
31011-57-1
UN Code
UN No.: 2925, IMCO Class No.: 4.1 (8), Packing Group: II
Storage Temperature
2 - 8°C

Chemical Information

Tetrachlorobis(tetrahydrofuran)titanium
CAS Number31011-57-1
PubChem CID10958563
IUPAC Nameoxolane;tetrachlorotitanium
Molecular FormulaC8H16Cl4O2Ti
Molecular Weight333.9
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity41
SMILES
C1CCOC1.C1CCOC1.Cl[Ti](Cl)(Cl)Cl
InChI
InChI=1S/2C4H8O.4ClH.Ti/c2*1-2-4-5-3-1;;;;;/h2*1-4H2;4*1H;/q;;;;;;+4/p-4
InChIKey
LXWBMENBONGPSB-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of Tetrachlorobis(tetrahydrofuran)titanium
CAS: 31011-57-1
CID: 10958563
Formula: C8H16Cl4O2Ti
MW: 333.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight333.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass333.935431
Monoisotopic Mass331.938381
Topological Polar Surface Area18.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity41.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes