2,2,2-trifluoroacetamide

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:

2012

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

Test material information

Constituent 1

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

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.