Registration Dossier

Administrative data

Endpoint:
acute toxicity: oral
Type of information:
migrated information: read-across based on grouping of substances (category approach)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
other: Predicted data
Title:
R: QSAR Toolbox 2.3.0.1132 prediction for LD50 read across evaluation for 1955-46-0
Author:
Sustainability Support Services (Europe) AB
Year:
2012
Bibliographic source:
QSAR Toolbox version 2.3

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: estimated data
Principles of method if other than guideline:
On the basis of priciples of QSAR the prediction has been done as suggested by ECHA
GLP compliance:
not specified

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILES:C(=O)(O)c1cc(C(=O)OC)cc(N(=O)=O)c1

Test animals

Species:
other: Rattus norvegicus
Sex:
male/female

Administration / exposure

Route of administration:
oral: unspecified

Results and discussion

Effect levels
Sex:
male/female
Dose descriptor:
LD50
Effect level:
1 387.524 mg/kg bw
Based on:
test mat.
Remarks on result:
other: other details not available

Any other information on results incl. tables

The prediction was based on dataset comprised from the following descriptors: LD50
Estimation method: Taking average value from the 10 nearest neighbours
Domain logical expression:Result: In Domain

("a" and ("b" and "c" ) )

Domain logical expression index: "a"

Similarity boundary:Target: C(=O)(O)c1cc(C(=O)OC)cc(N(=O)=O)c1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Parametric boundary:The target chemical should have a value of log Kow which is >= 0.99

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is <= 2.64

Applicant's summary and conclusion

Conclusions:
The LD50 value for rat is found be 1387.52 mg/kg bw for methyl 5-nitrohydrogen.isophthalate.
Executive summary:

The LD50 value for rat is found be 1387.52 mg/kg bw for methyl 5-nitrohydrogen.isophthalate.