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EC number: 206-559-9 | CAS number: 354-38-1
Toxicity to aquatic algae and cyanobacteria
Administrative data
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- 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 EC50 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: Pseudokirchneriella subcapitata;Scenedesmus subspicatus;Chlamydomonas reinhardtii;Chlorella vulgaris
Study design
- Test type:
- not specified
- Water media type:
- not specified
- Total exposure duration:
- 72 h
Results and discussion
Effect concentrations
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 81.763 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Growth
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: EC50
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: Out of Domain
(("a" and ("b" and ( not "c") ) ) and ("d" and "e" ) )
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 haloarenes OR alpha-activated benzyls OR alpha-activated haloalkanes OR Epoxides, Aziridines and Sulfuranes OR MA: Direct acylation involving a leaving group OR MA: Nucleophilic aromatic substitution on activated halogens OR MA: Nucleophilic substitution at sp3 Carbon atom OR MA: Nucleophilic substitution on benzylic carbon atom OR MA: Ring opening SN2 reaction OR Mechanistic Domain: Acylation OR Mechanistic Domain: SN2 OR Mechanistic Domain: SNAr OR Phosphates OR Sulphonyl halides by Protein binding by OASIS
Domain logical expression index: "d"
Parametric boundary:The target chemical should have a value of log Kow which is >= 0.784
Domain logical expression index: "e"
Parametric boundary:The target chemical should have a value of log Kow which is <= 1.61
Applicant's summary and conclusion
- Conclusions:
- The effective concentration (EC50) value of 2,2,2-trifluoroacetamide in Pseudokirchneriella subcapitata;Scenedesmus subspicatus;Chlamydomonas reinhardtii;Chlorella vulgaris in a 72 hr study on growth effect was estimated to be 81.76279 mg/L.
- Executive summary:
The effective concentration (EC50) value of 2,2,2-trifluoroacetamide in Pseudokirchneriella subcapitata;Scenedesmus subspicatus;Chlamydomonas reinhardtii;Chlorella vulgaris in a 72 hr study on growth effect was estimated to be 81.76279 mg/L. But the BCF value of phenethyl phenylacetate reported was not >= 500 as well as the substance was found to be rapidly degradable. Thus, it is concluded that 2,2,2-trifluoroacetamide do not exhibit short term toxicity to algae.
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