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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Description of key information

No experimental study is availlable on the substance to evaluate the acute toxicity. A LD50 value was predicted by the software Tox Boxes 2.9.

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records
Reference
Endpoint:
acute toxicity: oral
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
June, 2010
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: According to the prediction of toxicity delivered by the software Tox Boxes 2.9, Acute Toxicity overview indicates value with moderate reliability index.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Qualifier:
no guideline followed
Principles of method if other than guideline:
In silico prediction.
Tox Boxes 2.9 is the in house software for the prediction of basic toxicity endpoints in chemicals. Predictions are made analyzing the chemical structure and based upon large validated databases and QSAR models, in combination with expert knowledge of organic chemistry and toxicology.
GLP compliance:
no
Test type:
other: In silico prediction.
Species:
mouse
Strain:
not specified
Sex:
not specified
Route of administration:
oral: unspecified
Sex:
not specified
Dose descriptor:
LD50
Effect level:
660 mg/kg bw
Remarks on result:
other: The acute toxicity overview indicates values with moderate reliability index by Tox Boxes 2.9 (software for the prediction).
Interpretation of results:
other: alert
Remarks:
Criteria used for interpretation of results: expert judgment
Conclusions:
Predicted LD50 oral in mouse by Tox Boxes 2.9 = 660 mg/kg.
The acute oral toxicity in mouse overview indicates values with moderate reliability index.

This data support the substance classification as harmful if swallowed based on the LD50 oral predicted value in rat .
Endpoint conclusion
Endpoint conclusion:
adverse effect observed
Dose descriptor:
LD50
Value:
660 mg/kg bw
Quality of whole database:
Predicted value delivered by the software Tox Boxes 2.9 with moderate reliability index.

Acute toxicity: via inhalation route

Endpoint conclusion
Endpoint conclusion:
no study available

Acute toxicity: via dermal route

Endpoint conclusion
Endpoint conclusion:
no study available

Additional information

The predicted LD50 oral in mouse by Tox Boxes 2.9 is 660 mg/kg.

The acute oral toxicity in mouse overview indicates values with moderate reliability index.


Justification for selection of acute toxicity – oral endpoint
The acute oral toxicity in mouse overview indicates values with moderate reliability index. The acute oral toxicity in rat overview indicates values with borderline reliability index. Therefore, the predicted value in mouse was selected.

Justification for classification or non-classification

The substance can be allocated to toxicity category 4, based on the LD50 oral according to the numeric criteria shown in Table 3.1.1 of Regulation 1272/2008 (CLP).

Therefore 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazinium chloride is classified as Harmful if swallowed (Ac.tox.4 - H302).