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Diss Factsheets

Administrative data

Endpoint:
acute toxicity: oral
Type of information:
(Q)SAR
Adequacy of study:
disregarded due to major methodological deficiencies
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
other: The study results are disregarded as the substance is out of the Applicability Domain (AD) of the model.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
publication
Title:
Oral rat LD50
Author:
U.S. Environmental Protection Agency
Bibliographic source:
T.E.S.T. v.4.1
Report date:
2015

Materials and methods

Test guideline
Guideline:
other: REACH guidance on QSARs R6, May 2008
Principles of method if other than guideline:
General model for estimating the acute oral toxicity (oral rat LD50).

Test material

Constituent 1
Chemical structure
Reference substance name:
ethyl 1-[(2,6-difluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate
EC Number:
937-617-8
Cas Number:
869501-51-9
Molecular formula:
C12H11F2N3O2
IUPAC Name:
ethyl 1-[(2,6-difluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate
Constituent 2
Reference substance name:
ethyl 1-[(2,6-difluorophenyl)methyl]triazole-4-carboxylate
IUPAC Name:
ethyl 1-[(2,6-difluorophenyl)methyl]triazole-4-carboxylate
Details on test material:
SMILE: O=C(OCC)c2cn(Cc1c(F)cccc1F)nn2
InChI=1/C12H11F2N3O2/c1-2-19-12(18)11-7-17(16-15-11)6-8-9(13)4-3-5-10(8)14/h3-5,7H,2,6H2,1H3

Test animals

Species:
other: no specified

Results and discussion

Effect levels
Dose descriptor:
LD50
Effect level:
493 mg/kg bw

Any other information on results incl. tables

Model assessment:

Prediction is "LD50 = 493,96 mg/kg", but the result may be not reliable as only moderately similar compounds with known experimental value in the training set have been found.

Details are provided in attachment on the section: "attached full study report".

Applicant's summary and conclusion

Interpretation of results:
Toxicity Category IV
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
The obtained results are disregarded as the substance is out of the Applicability Domain (AD) of the model.