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Toxicological information

Acute Toxicity: oral

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Administrative data

Endpoint:
acute toxicity: oral
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: Predicted data
Title:
R: QSAR Toolbox 2.3.0.1132 prediction for LD50 read across evaluation for 99-59-2
Author:
Sustainability Support Services (Europe) AB
Year:
2012
Bibliographic source:
QSAR Toolbox version 2.3

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: estimated data
Principles of method if other than guideline:
Prediction is done using QSAR Toolbox version 2.3.
GLP compliance:
no
Test type:
standard acute method

Test material

Constituent 1
Chemical structure
Reference substance name:
5-nitro-o-anisidine
EC Number:
202-770-5
EC Name:
5-nitro-o-anisidine
Cas Number:
99-59-2
Molecular formula:
C7H8N2O3
IUPAC Name:
2-methoxy-5-nitroaniline
Details on test material:
-Name of the test material: 5-nitro-o-anisidine
-Molecular formula: C7H8N2O3
-Substance type: Organic

Test animals

Species:
rat
Strain:
Brown Norway
Sex:
male/female

Administration / exposure

Route of administration:
oral: unspecified
Vehicle:
not specified
Control animals:
not specified

Results and discussion

Effect levels
Sex:
male/female
Dose descriptor:
LD50
Effect level:
2 315.143 mg/kg bw
Based on:
test mat.

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 5 nearest neighbours
Domain logical expression:Result: In Domain

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

Domain logical expression index: "a"

Similarity boundary:Target: c1(OC)c(N)cc(N(=O)=O)cc1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Parametric boundary:The target chemical should have a value of log Kow which is >= 0.971

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is <= 2.06

Applicant's summary and conclusion

Interpretation of results:
not classified
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
The acute oral median lethal dose (LD50) of 5-nitro-o-anisisdine in rat was found to be 2315.143 mg/kg of body weight.
Executive summary:

The acute oral median lethal dose (LD50) of 5-nitro-o-anisisdine in rat was found to be 2315.143 mg/kg of body weight. This value indicates that 5 -nitro-o-anisidine does not exhibit acute toxicity by the oral route.

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