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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

Ecotoxicological information

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)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
1. SOFTWARE and Model
ECOSAR v1.11

2. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
N#Cc1cccc(c1Cl)Cl

3. APPLICABILITY DOMAIN
Molecule does not fit the exclusion criteria, so it is “in-domain”. Furthermore the predicted acute value for fish (25,4) is very close to the experimental one (24).

4. ADEQUACY OF THE RESULT
The predicted value of 15.6 mg/L together with the classification as non-readily biodegradable leads to a classification as “Chronic aquatic toxicity, Category 3, H412 Harmful to aquatic life with long lasting ef-fects.

Data source

Reference
Reference Type:
other: QSAR calculation
Title:
Unnamed
Year:
2016

Materials and methods

Principles of method if other than guideline:
see "justification for type of information"

Test material

Constituent 1
Chemical structure
Reference substance name:
2,3-dichlorobenzonitrile
EC Number:
625-309-3
Cas Number:
6574-97-6
Molecular formula:
C7H3NCl2
IUPAC Name:
2,3-dichlorobenzonitrile
impurity 1
Chemical structure
Reference substance name:
Water
EC Number:
231-791-2
EC Name:
Water
Cas Number:
7732-18-5
Molecular formula:
H2O
IUPAC Name:
Water
impurity 2
Reference substance name:
unknown
IUPAC Name:
unknown
Test material form:
solid: bulk
Details on test material:
This composition is the usual techical grade of AlzChem AG. It will be used when test substance has this composition (or is very closed) or no specific information is available.

Results and discussion

Effect concentrations
Key result
Duration:
48 h
Dose descriptor:
EC50
Effect conc.:
15.6 mg/L

Applicant's summary and conclusion

Conclusions:
Calculated EC50 of 2,3-Dichlorobenzonitrile is 15.6 mg/L after 48 h.
Executive summary:

Calculated EC50 of 2,3-Dichlorobenzonitrile is 15.6 mg/L after 48 h