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Diss Factsheets
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EC number: 201-627-4 | CAS number: 85-73-4
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Toxicity to reproduction
Administrative data
- Endpoint:
- two-generation reproductive toxicity
- Remarks:
- based on test type (migrated information)
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting 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 "Relative ERBA" read across evaluation for 85-73-4
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 012
- 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 material
- Reference substance name:
- Phthalylsulfathiazole
- EC Number:
- 201-627-4
- EC Name:
- Phthalylsulfathiazole
- Cas Number:
- 85-73-4
- Molecular formula:
- C17H13N3O5S2
- IUPAC Name:
- 2-({4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}carbamoyl)benzoic acid
- Test material form:
- other: Amorphous
- Details on test material:
- - Name of test material : phthalylsulfathiazole
- Molecular formula : C17H13N3O5S2
- Substance type: Organic
- Physical state: Solid
Constituent 1
Test animals
- Species:
- other: lamb;NoAssay;Rat;human
- Strain:
- not specified
- Sex:
- not specified
Administration / exposure
- Route of administration:
- oral: unspecified
- Type of inhalation exposure (if applicable):
- not specified
- Vehicle:
- not specified
Results and discussion
Results: P0 (first parental generation)
Effect levels (P0)
- Dose descriptor:
- other: "Relative ERBA"
- Effect level:
- 0.032
- Based on:
- test mat.
- Sex:
- not specified
- Basis for effect level:
- other: not specified
- Remarks on result:
- other: not specified
Target system / organ toxicity (P0)
- Critical effects observed:
- not specified
- System:
- other: not specified
- Organ:
- not specified
Results: F2 generation
Effect levels (F2)
- Dose descriptor:
- other: not specified
- Generation:
- other: not specified
- Based on:
- not specified
- Sex:
- not specified
- Basis for effect level:
- other: not specified
- Remarks on result:
- other: not specified
Target system / organ toxicity (F2)
- Critical effects observed:
- not specified
- System:
- other: not specified
- Organ:
- not specified
Overall reproductive toxicity
- Reproductive effects observed:
- not specified
- Treatment related:
- not specified
Any other information on results incl. tables
The
prediction was based on dataset comprised from the following
descriptors: "Relative ERBA"
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((((("a"
and "b" )
and ("c"
and (
not "d")
)
)
and "e" )
and "f" )
and "g" )
and ("h"
and "i" )
)
Domain
logical expression index: "a"
Similarity
boundary:Target:
C(=O)(O)c1c(C(=O)Nc2ccc(S(=O)(=O)NC3=NC=CS3)cc2)cccc1
Threshold=50%,
Dice(Atom pairs)
Domain
logical expression index: "b"
Similarity
boundary:Target:
C(=O)(O)c1c(C(=O)Nc2ccc(S(=O)(=O)NC3=NC=CS3)cc2)cccc1
Threshold=60%,
Dice(Atom pairs)
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acetates AND MA: Direct
Acylation Involving a Leaving group AND Mechanistic Domain: Acylation by
Protein binding by OECD
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Acyl halides (including benzyl
and carbamoyl deriv.) OR Allyl acetates and related chemicals OR MA:
Direct Acting Schiff Base Formers OR MA: Polarised Alkenes OR MA:
Quinones and Quinone-type Chemicals OR MA: SN2 reaction at a nitrogen
atom OR MA: SN2 reaction at a sulphur atom OR MA: SN2 reaction at sp3
carbon atom OR Mechanistic Domain: Michael addition OR Mechanistic
Domain: Schiff Base Formers OR Mechanistic Domain: SN2 OR Mono-carbonyls
OR Nitrosoureas (carbon) OR Nitrosoureas (nitrogen) OR No alert found OR
Polarised alkene - nitro OR Pyranones (and related nitrogen chemicals)
OR Quinone-diimine OR Sulfoxides of disulfides by Protein binding by OECD
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No superfragment by
Superfragments
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as High (Class III) by Toxic hazard
classification by Cramer (original)
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Class 3 (unspecific reactivity)
by Acute aquatic toxicity classification by Verhaar
Domain
logical expression index: "h"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 2.12
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 2.92
Applicant's summary and conclusion
- Conclusions:
- The relative ERBA score for phthalylsulfathiazole was estimated to be 0.032
- Executive summary:
The relative ERBA score for phthalylsulfathiazole was estimated to be 0.032
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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