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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 371-41-5
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:
standard acute method
GLP compliance:
no
Test type:
standard acute method

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid: crystalline
Details on test material:
-Name of test material : 4-fluorophenol
- Molecular formula : C6H5FO
- Substance type: Organic
- Physical state: Solid

Test animals

Species:
rat
Strain:
Wistar
Sex:
not specified

Administration / exposure

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

Results and discussion

Effect levels
Sex:
not specified
Dose descriptor:
LD50
Effect level:
1 271.312 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 ( not "c") ) ) and "d" ) and ("e" and "f" ) )

Domain logical expression index: "a"

Similarity boundary:Target: c1(F)ccc(O)cc1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Not possible to classify according to these rules by Protein Binding Potency

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Alkyl 2-alkenoates (MA) OR Methacrylates (MA) OR Moderately reactive (GSH) OR Slightly reactive (GSH) by Protein Binding Potency

Domain logical expression index: "d"

Similarity boundary:Target: c1(F)ccc(O)cc1
Threshold=60%,
Dice(Atom pairs)

Domain logical expression index: "e"

Parametric boundary:The target chemical should have a value of log Kow which is >= 1.16

Domain logical expression index: "f"

Parametric boundary:The target chemical should have a value of log Kow which is <= 2.55

Applicant's summary and conclusion

Interpretation of results:
Toxicity Category IV
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
Acute oral lethal dose (LD50) of 4-fluorophenol in rat was estimated to be 1271.312 mg/kg.This value suggests that 4-fluorophenol is likely to exhibit acute oral toxicity in category 4.
Executive summary:

Acute oral lethal dose (LD50) of 4-fluorophenol in rat was estimated to be 1271.312 mg/kg.This value suggests that 4-fluorophenol is likely to exhibit acute oral toxicity in category 4.