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EC number: 202-058-4 | CAS number: 91-30-5
- 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 aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Prediction is done using QSAR Toolbox version 3.4
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.4
- GLP compliance:
- no
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): Benzenesulfonic acid, 5-amino-2-(phenylamino)-
- Molecular formula: C12 H12 N2 O3 S
- Molecular weight : 264.304 g/mol
- Smiles notation: O=S(=O)(O)c1c(Nc2ccccc2)ccc(N)c1
- InChl: 1S/C12H12N2O3S/c13-9-6-7-11(12(8-9)18(15,16)17)14-10-4-2-1-3-5-10/h1-8,14H,13H2,(H,15,16,17)
- Substance type: Organic
- Physical state: solid - Analytical monitoring:
- not specified
- Details on sampling:
- not specified
- Vehicle:
- not specified
- Details on test solutions:
- not specified
- Test organisms (species):
- Desmodesmus subspicatus (previous name: Scenedesmus subspicatus)
- Details on test organisms:
- not specified
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 72 h
- Hardness:
- not specified
- Test temperature:
- 22.3-24°C
- pH:
- 7.36-7.93
- Dissolved oxygen:
- not specified
- Salinity:
- not specified
- Conductivity:
- not specified
- Nominal and measured concentrations:
- not specified
- Details on test conditions:
- not specified
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 138.006 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The median Effective concentration (EC50) value for Benzenesulfonic acid, 5-amino-2-(phenylamino)- on Desmodesmus subspicatus in a 72 hour study was estimated to be 138.0 mg/L on the basis of effects on growth rate.
- Executive summary:
72 hrs aquatic toxicity study was predicted to assess toxic effects of the test compound Benzenesulfonic acid, 5-amino-2-(phenylamino)-(CAS no. 91 -30 -5) and the result were predicted. The study was based on the effects of the test compound on Desmodesmus subspicatus in a static fresh watersystem. The predicted data suggests the effective concentration (EC50) for thetest compound Benzenesulfonic acid, 5-amino-2- (phenylamino)-(CAS no. 91 -30 -5) was estimated to be 138.0 mg/l on the basis of growth rate. Thus, based on this value, it can be concluded that the test chemical Benzenesulfonic acid, 5-amino-2-(phenylamino)- can be considered asnon-toxic to aquatic organismsand thus cannot be classified as hazardousas per the CLP criteria.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((("a"
or "b" or "c" or "d" or "e") and("f"
and(not
"g")) ) and
"h") and
"i") and("j"
and "k") )
Domain
logical expression index: "a"
Referential
boundary:The
target chemical should be classified as Anilines (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary:The
target chemical should be classified as Aniline AND Aryl AND Sulfonic
acid by Organic Functional groups
Domain
logical expression index: "c"
Referential
boundary:The
target chemical should be classified as Aniline AND Aryl AND Overlapping
groups AND Sulfonic acid by Organic Functional groups (nested)
Domain
logical expression index: "d"
Referential
boundary:The
target chemical should be classified as Aliphatic Nitrogen, one aromatic
attach [-N] AND Aliphatic Nitrogen, two aromatic attach [-N-] AND
Aromatic Carbon [C] AND Hydroxy, sulfur attach [-OH] AND Miscellaneous
sulfide (=S) or oxide (=O) AND Nitrogen, two or tree olefinic attach
[>N-] AND Olefinic carbon [=CH- or =C<] AND Suflur {v+4} or {v+6} AND
Sulfinic acid [-S(=O)OH] AND Sulfonate, aromatic attach [-SO2-O] by
Organic functional groups (US EPA)
Domain
logical expression index: "e"
Referential
boundary:The
target chemical should be classified as Amine AND Aromatic compound AND
Primary amine AND Primary aromatic amine AND Secondary amine AND
Secondary aromatic amine AND Sulfonic acid AND Sulfonic acid derivative
by Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "f"
Referential
boundary:The
target chemical should be classified as No alert found by Protein
binding alerts for Chromosomal aberration by OASIS v.1.2
Domain
logical expression index: "g"
Referential
boundary:The
target chemical should be classified as Acylation OR Acylation >>
Acylation involving an activated (glucuronidated) carboxamide group OR
Acylation >> Acylation involving an activated (glucuronidated)
carboxamide group >> Carboxylic Acid Amides OR Acylation >> Direct
acylation involving a leaving group OR Acylation >> Direct acylation
involving a leaving group >> Carboxylic Acid Amides OR AN2 OR AN2 >>
Michael addition to the quinoid type structures OR AN2 >> Michael
addition to the quinoid type structures >> Carboxylic Acid Amides OR AN2
>> Michael addition to the quinoid type structures >> Substituted
Anilines by Protein binding alerts for Chromosomal aberration by OASIS
v.1.2
Domain
logical expression index: "h"
Referential
boundary:The
target chemical should be classified as Class 5 (Not possible to
classify according to these rules) by Acute aquatic toxicity
classification by Verhaar (Modified) ONLY
Domain
logical expression index: "i"
Referential
boundary:The
target chemical should be classified as Very fast by Bioaccumulation -
metabolism half-lives ONLY
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -3
Domain
logical expression index: "k"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 0.423
Description of key information
72 hrs aquatic toxicity study was predicted to assess toxic effects of the test compound Benzenesulfonic acid, 5-amino-2-(phenylamino)- (CAS no. 91 -30 -5) and the result were predicted (SSS QSAR Prediction Model, 2016). The study was based on the effects of the test compound on Desmodesmus subspicatus in a static fresh watersystem. The predicted data suggests the effective concentration (EC50) for the test compound Benzenesulfonic acid, 5-amino-2- (phenylamino)- (CAS no. 91 -30 -5) was estimated to be 138.0 mg/l on the basis of growth rate.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 138 mg/L
Additional information
Various predicted data for the target chemical Benzenesulfonic acid, 5-amino-2-(phenylamino)- (CAS No. 91-30-5) and the study for its read across substancewere reviewed to summarize the following information:
72 hrs aquatic toxicity study was predicted to assess toxic effects of the test compound Benzenesulfonic acid, 5-amino-2-(phenylamino)- (CAS no. 91 -30 -5) and the result were predicted (SSS QSAR Prediction Model, 2016). The study was based on the effects of the test compound on Desmodesmus subspicatus in a static fresh watersystem. The predicted data suggests the effective concentration (EC50) for the test compound Benzenesulfonic acid, 5-amino-2- (phenylamino)- (CAS no. 91 -30 -5) was estimated to be 138.0 mg/l on the basis of growth rate.
Based on the QSAR prediction done using the EPI Suite ECOSAR version 1.10 (EPI Suite, 2016), the 96 hours EC50 was estimated to be 18645.9 mg/l on green algae for substance Benzenesulfonic acid, 5-amino-2-(phenylamino)- (CAS no. 91 -30 -5) with growth inhibition effects.
Freshwater algal growth inhibition test was carried out on Desmodesmus subspicatus with the read across substance Disodium 5-amino-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonate (CAS no. 3567-66-6) according to OECD Guideline 201 (ABITEC study report, Sustainability Support Services (Europe) AB, Report no. 452/16, 2016). The stock solution (200 mg/L) was prepared by dissolving dark red powder in OECD growth medium. Test solutions of required concentrations were prepared by mixing the stock solution of the test sample with OECD growth medium and inoculum culture. Conc. of read across chemical used for the study was 12.5, 25, 50, 100, and 200 mg/L, respectively. The test was performed under static conditions in a static fresh water system at a temp. of 23±2°C. Initial cell density of test organism used was 5x10(3) cells/ml. Determination of cell counting involve the use of microscope with counting chamber Cyrus I or electronic particle counter. ErC50 was calculated using non-linear regression by the software Prism 4.0. The median effective concentration (EC50) for the read across substance Disodium 5-amino-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonate in Desmodesmus subspicatus was determined to be 330.2 mg/L on the basis of effects on growth rate in a 72 hour study.
Based on the overall reported results for target and its read across substance, it can be concluded that the test substance Benzenesulfonic acid, 5-amino-2-(phenylamino)- can be considered asnon-toxic to aquatic organisms and thus cannot be classified as hazardous as per the CLP criteria.
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