Bis(pentane-2,4-dionato-O,O')(propane-1,3-diolato-O,O')titanium
Basic information
- CAS
36870-02-7- Standard SMILES
CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[O-]CCC[O-].[Ti+4]- InChIKey
MPJJRYGVHNTASI-SUKNRPLKSA-L- Molecular formula
- C13H20O6Ti
- Average molar mass
- 320.16 g/mol
- Monoisotopic mass
- 320.073929
Names & identifiers
- Preferred name
- Bis(pentane-2,4-dionato-O,O')(propane-1,3-diolato-O,O')titanium
- IUPAC
- bis((Z)-4-oxopent-2-en-2-olate);propane-1,3-diolate;titanium(4+)
Names & synonyms
Bis(pentane-2,4-dionato-O,O')(propane-1,3-diolato-O,O')titaniumTitanium, bis(2,4-pentanedionato-kappaO2,kappaO4)(1,3-propanediolato-kappaO1,kappaO3)-RefChem:569238253-245-2Titanium, bis(2,4-pentanedionato-.kappa.O2,.kappa.O4)(1,3-propanediolato-.kappa.O1,.kappa.O3)-1,3-Propanedioxytitanium bis(acetylacetonate)EINECS 253-245-2MPJJRYGVHNTASI-SUKNRPLKSA-L
Database identifiers
- CAS
36870-02-7- PubChem CID
- 5488899
- EC Number
- 253-245-2
Properties
Computed structural properties
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 103
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports.
Not Classified
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationTitanium, bis(2,4-pentanedionato-.kappa.O2,.kappa.O4)(1,3-propanediolato-.kappa.O1,.kappa.O3)-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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