Trifluoroacetaldehyde

HCID 65564CAS 75-90-1

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Basic information

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 properties

XLogP: 0.8
Topological polar surface area: 17.1 Å²
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

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.