Trifluoroacetaldehyde
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Basic information
- CAS
75-90-1- Standard SMILES
O=CC(F)(F)F- InChIKey
JVTSHOJDBRTPHD-UHFFFAOYSA-N- Molecular formula
- C2HF3O
- Average molar mass
- 98.02 g/mol
- Monoisotopic mass
- 97.99794931
Names & identifiers
- Preferred name
- Trifluoroacetaldehyde
- IUPAC
- 2,2,2-trifluoroacetaldehyde
- English name
- Trifluoroacetaldehyde
- Molecular formula
- C2HF3O
- Molecular weight
- 98.02
Names & synonyms
Trifluoroacetaldehyde75-90-1Acetaldehyde, trifluoro-DTXSID3058791TFALDRefChem:899573DTXCID6047739200-914-12,2,2-trifluoroacetaldehydeTrifluoracetaldehydetrifluoroacetaldehyde monohydrateT3279
Show more names
FluoralTrifluoroethanaltrifluoro-acetaldehyd2,2,2-TrifluoroethanalIsoflurane impurity 192,2,2-trifluoroethoxide
trifluoroethanoneEthanal, trifluoroNSC 9446EINECS 200-914-1ethanal, trifluoro-trifluoro-acetaldehyde2,2,2-trifluoroethanoneSCHEMBL2466
Database identifiers
- CAS
75-90-1- PubChem CID
- 65564
- DTXSID
DTXSID3058791- EC Number
- 200-914-1
- Nikkaji
- J192.552K
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 54.3
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Physicochemical properties
- Boiling point
- -20 °C · -20 °C
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- CAS DataBase Reference
- 75 · 75-90-1
- EPA Substance Registry System
- Acetaldehyde, trifluoro- (75-90-1)
- Risk Statements
- 10 · 10
- Safety Statements
- 16 · 16
- RIDADR
- 1989 · 1989
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Acetaldehyde, trifluoro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
- ridadr
- 1989
- risk_code
- 10
- safety_code
- 16
Chemistry & industry
Pharmacology
Metabolism/MetabolitesTrifluoroacetaldehyde is a known human metabolite of 2,2-dichloro-1,1,1-trifluoroethane.
Uses & manufacturing
General Manufacturing InformationAcetaldehyde, 2,2,2-trifluoro-: INACTIVE
Applications
UsesTrifluoroacetaldehyde is a reagent used in the synthesis of GABAB activators.
Uses2,2,2-Trifluoroacetaldehyde is used in the synthesis of GABAB agonists which may be used in the therapeutic treatment of pain. Also used in the synthesis of ketone based inhibitors of human renin.
Upstream & downstream products
Downstream products
Related reactions
28 records
Compound notes
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