1,1,1,5,5,5-Hexafluoro-4-oxo-2-penten-2-olate; thallium(3+)
Basic information
- CAS
15444-43-6- Standard SMILES
O=C(C=C([O-])C(F)(F)F)C(F)(F)F.[Tl+3]- InChIKey
SPIMCNBHLUWJQK-UHFFFAOYSA-M- Molecular formula
- C5HF6O2Tl+2
- Average molar mass
- 411.43 g/mol
- Monoisotopic mass
- 411.9625
Names & identifiers
- Preferred name
- 1,1,1,5,5,5-Hexafluoro-4-oxo-2-penten-2-olate; thallium(3+)
- IUPAC
- 1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;thallium(3+)
Names & synonyms
15444-43-61,1,1,5,5,5-hexafluoro-4-oxo-2-penten-2-olate; thallium(3+)DTXSID50694135SPIMCNBHLUWJQK-UHFFFAOYSA-M1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;thallium(3+)
Database identifiers
- CAS
15444-43-6- PubChem CID
- 53395403
- DTXSID
DTXSID50694135- EC Number
- 621-488-7
Properties
Computed structural properties
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 2
- Complexity
- 210
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
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P264, P270, P271, P273, P284, P301+P316, P304+P340, P316, P319, P320, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)
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Related reactions
0 records
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Compound notes
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