Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 220-115-1 | CAS number: 2631-68-7
Toxicity to aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- 1. SOFTWARE
DANISH QSAR database
2. MODEL (incl. version number)
EPI ECOSAR and DTU-developed models
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES (used for QSAR prediction): c1(Cl)c(N(=O)=O)c(Cl)c(N(=O)=O)c(Cl)c1N(=O)=O
ECOSAR classes: Polynitrobenzenes - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR prediction
- GLP compliance:
- no
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- >= 0.087 - <= 0.182 mg/L
- Conc. based on:
- test mat.
- Remarks on result:
- other: Results obtained with DTU-developed models
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 0.442 mg/L
- Conc. based on:
- test mat.
- Remarks on result:
- other: Result obtained from EPI ECOSAR models
- Details on results:
- See tables of results
Reference
Aquatic toxicity
| Exp | Battery | Leadscope | SciQSAR |
Pseudokirchneriella s. 72h EC50 (mg/L) |
| 0.1346793 | 0.1823742 | 0.0869844 |
Domain |
| IN | IN | IN |
DTU-developed models | ||||
| Green Algae 96h |
LC50 (Fish) or EC50 (Daphnid and Algae) for Most Toxic Class (mg/L) | 0.442 |
Max. Log Kow for Most Toxic Class | 6.4 |
Most Toxic Class | Polynitrobenzenes |
EPI ECOSAR models | |
ECOSAR Classes: Polynitrobenzenes | |
Description of key information
For that endpoint, several data from QSAR models were available.
All data range between 0.087 and 0.442 mg/L. Regarding the similarity among the available QSAR predictions, the data obtained can be considered to have good reliability.
The worst-case value 72h-EC50 of 0.087 mg/L was selected as the key study.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 0.087 mg/L
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
