Registration Dossier
Registration Dossier
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EC number: 223-051-2 | CAS number: 3709-43-1
Short-term toxicity to aquatic invertebrates
Administrative data
- Endpoint:
- short-term toxicity to aquatic invertebrates
- 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: Preidcted data
- Title:
- R: QSAR Toolbox 2.3.0.1132 prediction for EC50 read across evaluation for 3709-43-1
- 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: Estimated data
- GLP compliance:
- not specified
Test material
- Reference substance name:
- Disodium 4,4'-dinitrostilbene-2,2'-disulphonate
- EC Number:
- 223-051-2
- EC Name:
- Disodium 4,4'-dinitrostilbene-2,2'-disulphonate
- Cas Number:
- 3709-43-1
- Molecular formula:
- C14H10N2O10S2.2Na
- IUPAC Name:
- disodium 4,4'-dinitrostilbene-2,2'-disulphonate
- Details on test material:
- SMILES:c1(S(=O)(=O)O{-}.[Na]{+})c(C={t}Cc2c(S(=O)(=O)O{-}.[Na]{+})cc(N(=O)=O)cc2)ccc(N(=O)=O)c1
Constituent 1
Test organisms
- Test organisms (species):
- Daphnia magna
Study design
- Test type:
- not specified
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
Results and discussion
Effect concentrations
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 148.745 mg/L
- Basis for effect:
- other: Intoxication
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: In Domain
("a" and ("b" and "c" ) )
Domain logical expression index: "a"
Similarity boundary:Target: c1(S(=O)(=O)O{-}.[Na]{+})c(C={t}Cc2c(S(=O)(=O)O{-}.[Na]{+})cc(N(=O)=O)cc2)ccc(N(=O)=O)c1
Threshold=50%,
Dice(Atom pairs)
Domain logical expression index: "b"
Parametric boundary:The target chemical should have a value of log Kow which is >= -2.87
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of log Kow which is <= 1.35
Applicant's summary and conclusion
- Conclusions:
- EC50 value for 48 hours of disodium 4,4'-dinitrostilbene-2,2'-disulphonate is estimated to be 148.74 mg/l
- Executive summary:
EC50 value for 48 hours of disodium 4,4'-dinitrostilbene-2,2'-disulphonate is estimated to be 148.74 mg/l
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