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Hafnium(IV) tert-butoxide - 99.99% trace metals basis (purity excludes ~2000 ppm zirconium.), high purity , CAS No.2172-02-3
Basic Description
Synonyms
hafnium(4+);2-methylpropan-2-olate | HAFNIUM TERT-BUTOXIDE | DTXSID50433026 | FT-0730703 | AKOS025293897
Specifications & Purity
≥99.99% metals basis, purity excludes ~2000 ppm zirconium
Product Description
General Description
Atomic number of base material: 72 Hafnium
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic salts
Class
Organic metal salts
Subclass
Organic transition metal salts
Intermediate Tree Nodes
Not available
Direct Parent
Organic transition metal salts
Alternative Parents
Organic zwitterions Organic oxides Hydrocarbon derivatives Alkoxides
Molecular Framework
Not available
Substituents
Organic transition metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Alkoxide - Organooxygen compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as organic transition metal salts. These are organic salt compounds containing a transition metal atom in its ionic form.
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.
Names and Identifiers
IUPAC Name
hafnium(4+);2-methylpropan-2-olate
INCHI
InChI=1S/4C4H9O.Hf/c4*1-4(2,3)5;/h4*1-3H3;/q4*-1;+4
InChIKey
WZVIPWQGBBCHJP-UHFFFAOYSA-N
Smiles
CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Hf+4]
Isomeric SMILES
CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Hf+4]
UN Number
1993
Packing Group
III
Molecular Weight
470.65
Reaxy-Rn
4132643
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4132643&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
90°C/5 mm
Melt Point(°C)
8°C
Molecular Weight
470.900 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
472.208 Da
Monoisotopic Mass
472.208 Da
Topological Polar Surface Area
92.200 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
25.100
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
5
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