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EC number: 206-559-9 | CAS number: 354-38-1
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Short-term toxicity to fish
Administrative data
- Endpoint:
- short-term toxicity to fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: Predicted data
- Title:
- R: QSAR Toolbox 2.3.0.1132 prediction for LC50 read across evaluation for 354-38-1
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 012
- Bibliographic source:
- QSAR Toolbox version 2.3
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other:
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 2.3.
- GLP compliance:
- not specified
Test material
- Reference substance name:
- 2,2,2-trifluoroacetamide
- EC Number:
- 206-559-9
- EC Name:
- 2,2,2-trifluoroacetamide
- Cas Number:
- 354-38-1
- Molecular formula:
- C2H2F3NO
- IUPAC Name:
- 2,2,2-trifluoroacetamide
- Details on test material:
- - Name of test material : 2,2,2-trifluoroacetamide
- Molecular formula : C2H2F3NO
- Substance type: Organic
- Physical state: Solid
SMILES:C(F)(F)(F)C(N)=O
Constituent 1
Sampling and analysis
- Analytical monitoring:
- not specified
Test solutions
- Vehicle:
- not specified
Test organisms
- Test organisms (species):
- other: Pimephales promelas;Lepomis macrochirus;Oncorhynchus mykiss
Study design
- Test type:
- not specified
- Water media type:
- not specified
- Total exposure duration:
- 96 h
Results and discussion
Effect concentrations
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 153.909 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mortality (fish)
Any other information on results incl. tables
- Sublethal observations / clinical signs:
The prediction was based on dataset comprised from the following descriptors: LC50
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((((((("a" and ("b" and ( not "c") ) ) and ("d" and ( not "e") ) ) and ("f" and ( not "g") ) ) and "h" ) and "i" ) and "j" ) and "k" ) and "l" ) and ("m" and "n" ) )
Domain logical expression index: "a"
Referential boundary: The target chemical should be classified as Halogens AND Non-Metals by Groups of elements
Domain logical expression index: "b"
Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as Activated alkyl esters OR Activated alkyl or aryl esters OR Activated haloarenes OR Acyl halide of carboxylic acids OR Aldehydes OR alpha,beta-carbonyl compounds with polarized double bonds OR alpha-activated benzyls OR alpha-activated haloalkanes OR alpha-haloalkanes OR Amide OR Azalactones OR Carbamates OR Cyanoalkenes OR Diketones OR Epoxides, Aziridines and Sulfuranes OR Halogenated izothiazolones OR Isothiazolones derivatives OR Ketones OR MA: Addition to Carbon-hetero double/triple bond OR MA: Direct acylation involving a leaving group OR MA: Ester aminolysis OR MA: Ester aminolysis or thiolysis OR MA: Interchange reaction with sulphur containing compounds OR MA: Michael addition on conjugated systems with electron withdrawing group OR MA: Nucleophilic aromatic substitution on activated halogens OR MA: Nucleophilic cycloaddition to diketones OR MA: Nucleophilic substitution (SN1) on alkyl (aryl) mercury cations OR MA: Nucleophilic substitution at Nitrogen atom OR MA: Nucleophilic substitution at sp3 Carbon atom OR MA: Nucleophilic substitution on benzylic carbon atom OR MA: Nucleophilic vinylic substitution on activated halogens OR MA: Pyrazolones and pyrazolidinones derivatives OR MA: Ring opening SN2 reaction OR MA: Schiff base formation with carbonyl compounds OR Mechanistic Domain: Acylation OR Mechanistic Domain: Michael addition OR Mechanistic domain: Nucleophilic addition OR Mechanistic Domain: Schiff base formation OR Mechanistic Domain: SN Vinyl OR Mechanistic Domain: SN1 OR Mechanistic Domain: SN2 OR Mechanistic Domain: SNAr OR Mercury halides OR N-acylamides OR N-acylated heteroaromatic amines OR N-acylsulphonamides OR N-halogenated diketones or sulfoxides/sulfones OR Nitroalkenes OR Phosphates OR Phosphonates OR Pyrazolones and pyrazolidinones OR Sulfates OR Sulphonyl halides OR Thiols and disulfide compounds OR Thiophosphates OR Vinyl sulfonyl compounds by Protein binding by OASIS
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as No alert found by Protein binding by OECD
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as 1,2-Dihaloalkane OR Acetates OR Activated halo-benzenes OR Activated halo-pyridines OR Alkyl halides OR beta-Halo ethers OR MA: Direct Acting Schiff Base Formers OR MA: Direct Acylation Involving a Leaving group OR MA: Episulfonium Ion Formation OR MA: SN2 reaction at a sp2 carbon atom OR MA: SN2 reaction at sp3 carbon atom OR MA: SNAr OR Mechanistic Domain: Acylation OR Mechanistic Domain: Schiff Base Formers OR Mechanistic Domain: SN2 OR Mechanistic Domain: SNAr OR Mono-carbonyls OR Polarised alkenes with a halogen leaving group by Protein binding by OECD
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as Not possible to classify according to these rules by Protein Binding Potency
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as 2-Fluoroacetamides (SN2) OR Activated 2-bromoamides (SN2) OR alpha-bromo nitroalkanes (SN2) OR alpha-chloro toluenes (SN2) OR Benzoquinones (MA) OR Extremely reactive (GSH) OR Halogenated five membered heterocycles (SN2) OR Halogenated hydrocarbons (SN2) OR Highly reactive (GSH) OR Miscellaneous Alkyl 2-halo alkenoates (SN2) OR Moderately reactive (GSH) OR Naphthoquinones (MA) OR Non-reactive (GSH) OR Slightly reactive (GSH) OR Substituted 1-Alken-3-ones (MA) OR Substituted haloacetamides (SN2) OR Substituted haloacetonitriles (SN2) OR Vinyl bromides (SN2) by Protein Binding Potency
Domain logical expression index: "h"
Referential boundary: The target chemical should be classified as High (Class III) by Toxic hazard classification by Cramer (with extension)
Domain logical expression index: "i"
Referential boundary: The target chemical should be classified as Class 5 (Not possible to classify according to these rules) by Acute aquatic toxicity classification by Verhaar
Domain logical expression index: "j"
Referential boundary: The target chemical should be classified as Reactive unspecified by Acute aquatic toxicity MOA by OASIS
Domain logical expression index: "k"
Referential boundary: The target chemical should be classified as Very fast by Bioaccumulation - metabolism half-lives
Domain logical expression index: "l"
Similarity boundary:Target: C(F)(F)(F)C(N)=O
Threshold=10%,
Dice(Atom pairs)
Domain logical expression index: "m"
Parametric boundary:The target chemical should have a value of log Kow which is >= -0.569
Domain logical expression index: "n"
Parametric boundary:The target chemical should have a value of log Kow which is <= 1.42
Applicant's summary and conclusion
- Conclusions:
- Short term toxicity (96 h) value of 2,2,2-trifluoroacetamide to Pimephales promelas;Lepomis macrochirus;Oncorhynchus mykiss is estimated to be to be LC50: 153.9086 mg/L.
- Executive summary:
Short term toxicity (96 h) value of 2,2,2-trifluoroacetamide to Pimephales promelas;Lepomis macrochirus;Oncorhynchus mykiss is estimated to be to be LC50: 153.9086 mg/L. The value indicated that the substance is non toxic to fish environment.
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