Basic information
- CAS
1522-22-1- Standard SMILES
O=C(CC(=O)C(F)(F)F)C(F)(F)F- InChIKey
QAMFBRUWYYMMGJ-UHFFFAOYSA-N- Molecular formula
- C5H2F6O2
- Average molar mass
- 208.06 g/mol
- Monoisotopic mass
- 207.99589862
Names & identifiers
- Preferred name
- Hexafluoroacetylacetone
- IUPAC
- 1,1,1,5,5,5-hexafluoropentane-2,4-dione
- English name
- Hexafluoroacetylacetone
- Molecular formula
- C5H2F6O2
- Molecular weight
- 208.06
Names & synonyms
Hexafluoroacetylacetone1522-22-11,1,1,5,5,5-Hexafluoropentane-2,4-dione1,1,1,5,5,5-Hexafluoroacetylacetone1,1,1,5,5,5-Hexafluoro-2,4-pentanedione2,4-Pentanedione, 1,1,1,5,5,5-hexafluoro-MG8477QRV4DTXSID40617531,1,1,5,5,5-hexafluoro-pentan-2,4-dioneHexafluoro-2,4-pentanedioneMFCD00000426HFAC
Show more names
HFACAC1,1,1,5,5,5-HEXAFLUOROACETYLACETONATEuoroacetyLHexafluoroacetylacetone99%Hexafluoroacetylacetone>
EINECS 216-191-0NSC174351CF3COCH2COCF3UNII-MG8477QRV4Hexafluoroacetylacetone, 98%SCHEMBL183178SCHEMBL9397956OQDYFZNZXKSIGV-UHFFFAOYSA-N
Database identifiers
- CAS
1522-22-1、22466-49-5- PubChem CID
- 73706
- DTXSID
DTXSID4061753- UNII
- MG8477QRV4
- EC Number
- 216-191-0
- Nikkaji
- J7.508F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Ketones
SpringerMaterials PropertiesBoiling point
Physical DescriptionColorless to pale yellow liquid; Not miscible or difficult to mix in water; [MSDSonline]
Physicochemical properties
- Boiling point
- 70 · 70-71 °C (lit.)
- Density
- 1.47 g/mL · 1.47 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.332(lit.)
- Flash point
- 32 °C · 32 °C
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Liquid
- pka
- 4.3 · 4.30±0.10(Predicted)
- color
- Clear colorless to slightly yellow
- Specific Gravity
- 1.47 · 1.470
- Water Solubility
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2,4-Pentanedione, 1,1,1,5,5,5-hexafluoro-
1,1,1,5,5,5-Hexafluoroacetylacetone: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCorrosive to the skin; Irritating to the respiratory tract; Can cause chemical pneumonitis; [MSDSonline]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 3
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,4-Pentanedione, 1,1,1,5,5,5-hexafluoro-: ACTIVE
Applications
DescriptionHEXAFLUOROACETYLACETONE acts as a chelating ligand. For example, it can forms metal-chelate complexes with Ca(II), Zn (II), Cu(II), Ni(II), Co(II), Nd(III), Rh(III), Fe(III) and Cr(III), making it be useful in extracting related metal ions. It can also be used as liquid crystal intermediate.
Uses1,1,1,5,5,5-Hexafluoro-2,4-pentanedione acts as a chelating ligand. It is used as liquid crystal intermediate.
General DescriptionHexafluoroacetylacetone forms metal-chelate complexes with Cu(II), Ni(II), Co(II), Nd(III), Rh(III), Fe(III) and Cr(III). Hexafluoroacetylacetone on hydration yields 1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetraol.
Upstream & downstream products
Upstream raw materials
Related reactions
28 records
Compound notes
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