Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
weight of evidence
Reliability:
2 (reliable with restrictions)
Justification for type of information:
1. SOFTWARE

2. MODEL (incl. version number)

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
[Explain how the model fulfils the OECD principles for (Q)SAR model validation. Consider attaching the QMRF or providing a link]
- Defined endpoint:
- Unambiguous algorithm:
- Defined domain of applicability:
- Appropriate measures of goodness-of-fit and robustness and predictivity:
- Mechanistic interpretation:

5. APPLICABILITY DOMAIN
[Explain how the substance falls within the applicability domain of the model]
- Descriptor domain:
- Structural and mechanistic domains:
- Similarity with analogues in the training set:
- Other considerations (as appropriate):

6. ADEQUACY OF THE RESULT
[Explain how the prediction fits the purpose of classification and labelling and/or risk assessment]

Data source

Reference
Title:
QSAR Toolbox 4.2
Year:
2018
Bibliographic source:
The OECD QSAR Toolbox for Grouping Chemicals into Categories LMC, Bulgaria

Materials and methods

Test guideline
Guideline:
other: REACH Guadiance on QSARs R.6

Test material

Constituent 1
Chemical structure
Reference substance name:
pyridine-3-sulfonyl chloride
EC Number:
688-270-1
Cas Number:
16133-25-8
Molecular formula:
C5H4ClNO2S
IUPAC Name:
pyridine-3-sulfonyl chloride
Specific details on test material used for the study:
SMILES: ClS(=O)(=O)c1cccnc1

Results and discussion

Effect concentrations
Remarks on result:
other: QSAR predicted

Any other information on results incl. tables

QSAR Predicted Profile#Endpoint Specific#Acute aquatic toxicity classification by Verhaar (Modified): Class 5 (Not possible to classify according to these rules)

Applicant's summary and conclusion