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EC number: 210-441-2 | CAS number: 615-66-7
- 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 microorganisms
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to microorganisms
- 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:
- no guideline available
- Principles of method if other than guideline:
- Prediction is done using OECD QSAR Toolbox version 3.3 with log Kow as the primary descriptor.
- GLP compliance:
- not specified
- Analytical monitoring:
- not required
- Vehicle:
- not specified
- Test organisms (species):
- Tetrahymena pyriformis
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Test temperature:
- 25 degC
- pH:
- 6.9
- Reference substance (positive control):
- not specified
- Duration:
- 48 h
- Dose descriptor:
- other: IGC50
- Effect conc.:
- 510.58 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- growth inhibition
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The inhibition growth concentration (IGC50) of 2-chloro-p-phenylenediamine in microorganism (Tetrahymena pyriformis) on the basis of growth inhibition effect was estimated to be 510.58 mg/L.
- Executive summary:
A study was predicted using OECD QSAR toolbox version 3.3, to assess the toxicity effect of 2-chloro-p-phenylenediamine (CAS No. 615-66-7) in microorgani sm (tetrahymena pyriformis) in a 48 hours of exposure. The inhibition growth concentration (IGC50) of 2-chloro-p-phenylenediamine in microorganism (Tetrahy mena pyriformis) on the basis of growth inhibition effect was estimated to be 510.58 mg/L.
Reference
The
prediction was based on dataset comprised from the following
descriptors: IGC50
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 (
not "i")
)
)
and "j" )
and ("k"
and "l" )
)
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 Radical AND Radical >> Radical
mechanism via ROS formation (indirect) AND Radical >> Radical mechanism
via ROS formation (indirect) >> Single-Ring Substituted Primary Aromatic
Amines AND SN1 AND SN1 >> Nucleophilic attack after metabolic nitrenium
ion formation AND SN1 >> Nucleophilic attack after metabolic nitrenium
ion formation >> Single-Ring Substituted Primary Aromatic Amines by DNA
binding by OASIS v.1.3
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as SN1 AND SN1 >> Nitrenium Ion
formation AND SN1 >> Nitrenium Ion formation >> Primary aromatic amine
by DNA binding by OECD
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Weak binder, NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Anilines (amino-para) AND
Anilines (Unhindered) by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Radical AND Radical >> Radical
mechanism via ROS formation (indirect) AND Radical >> Radical mechanism
via ROS formation (indirect) >> Single-Ring Substituted Primary Aromatic
Amines AND SN1 AND SN1 >> Nucleophilic attack after metabolic nitrenium
ion formation AND SN1 >> Nucleophilic attack after metabolic nitrenium
ion formation >> Single-Ring Substituted Primary Aromatic Amines by DNA
binding by OASIS v.1.3
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No alert found OR Non-covalent
interaction OR Non-covalent interaction >> DNA intercalation OR
Non-covalent interaction >> DNA intercalation >> DNA Intercalators with
Carboxamide Side Chain OR Non-covalent interaction >> DNA intercalation
>> Fused-Ring Nitroaromatics OR Non-covalent interaction >> DNA
intercalation >> Fused-Ring Primary Aromatic Amines OR Radical >>
Radical mechanism by ROS formation OR Radical >> Radical mechanism by
ROS formation >> Polynitroarenes OR Radical >> Radical mechanism via ROS
formation (indirect) >> Fused-Ring Nitroaromatics OR Radical >> Radical
mechanism via ROS formation (indirect) >> Fused-Ring Primary Aromatic
Amines OR Radical >> Radical mechanism via ROS formation (indirect) >>
Nitroaniline Derivatives OR Radical >> Radical mechanism via ROS
formation (indirect) >> Nitroarenes with Other Active Groups OR Radical
>> Radical mechanism via ROS formation (indirect) >> Nitrophenols,
Nitrophenyl Ethers and Nitrobenzoic Acids OR Radical >> Radical
mechanism via ROS formation (indirect) >> p-Aminobiphenyl Analogs OR SN1
>> Nucleophilic attack after diazonium or carbenium ion formation OR SN1
>> Nucleophilic attack after diazonium or carbenium ion formation >>
Nitroarenes with Other Active Groups OR SN1 >> Nucleophilic attack after
metabolic nitrenium ion formation >> Fused-Ring Primary Aromatic Amines
OR SN1 >> Nucleophilic attack after metabolic nitrenium ion formation >>
p-Aminobiphenyl Analogs OR SN1 >> Nucleophilic attack after reduction
and nitrenium ion formation OR SN1 >> Nucleophilic attack after
reduction and nitrenium ion formation >> Fused-Ring Nitroaromatics OR
SN1 >> Nucleophilic attack after reduction and nitrenium ion formation
>> Nitroaniline Derivatives OR SN1 >> Nucleophilic attack after
reduction and nitrenium ion formation >> Nitroarenes with Other Active
Groups OR SN1 >> Nucleophilic attack after reduction and nitrenium ion
formation >> Nitrophenols, Nitrophenyl Ethers and Nitrobenzoic Acids OR
SN1 >> Nucleophilic attack after reduction and nitrenium ion formation
>> Polynitroarenes OR SN2 OR SN2 >> Direct acting epoxides formed after
metabolic activation OR SN2 >> Direct acting epoxides formed after
metabolic activation >> Quinoline Derivatives OR SN2 >> SN2 at an
activated carbon atom OR SN2 >> SN2 at an activated carbon atom >>
Quinoline Derivatives OR SN2 >> SN2 attack on activated carbon Csp3 or
Csp2 OR SN2 >> SN2 attack on activated carbon Csp3 or Csp2 >>
Nitroarenes with Other Active Groups by DNA binding by OASIS v.1.3
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Weak binder, NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Moderate binder, NH2 group OR
Non binder, impaired OH or NH2 group OR Strong binder, NH2 group OR Weak
binder, OH group by Estrogen Receptor Binding
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Class 3 (unspecific reactivity)
by Acute aquatic toxicity classification by Verhaar (Modified) ONLY
Domain
logical expression index: "k"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.16
Domain
logical expression index: "l"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 0.65
Description of key information
A study was predicted using OECD QSAR toolbox version 3.3, to assess the toxicity effect of 2-chloro-p-phenylenediamine (CAS No. 615-66-7) in microorgani sm (tetrahymena pyriformis) in a 48 hours of exposure. The inhibition growth concentration (IGC50) of 2-chloro-p-phenylenediamine in microorganism (Tetrahy mena pyriformis) on the basis of growth inhibition effect was estimated to be 510.58 mg/L.
Key value for chemical safety assessment
Additional information
Various studies including predicted results from validated model and experimental study from a peer-reviewed journal for toxicity to microorganism with the target substance 2-chloro-p-phenylenediamine (CAS No. 615-66-7) and the relevant read across substances 3-chloroaniline (CAS No.- 108-42-9) and 2-chloroaniline (CAS No. 95-51-2) by considering its structure-activity relationships, were summarized as follows:
A study was predicted using OECD QSAR toolbox version 3.3, to assess the toxicity effect of 2-chloro-p-phenylenediamine (CAS No. 615-66-7) in microorganism (tetrahymena pyriformis) in a 48 hours of exposure. The inhibition growth concentration (IGC50) of 2-chloro-p-phenylenediamine in microorganism (Tetrahy mena pyriformis) on the basis of growth inhibition effect was estimated to be 510.58 mg/L.
A test was developed by Jaworska, J.S. et. al (Ecotoxicology and Environmental Safety, 29, 200-213) using Escherichia coli in order to determine the toxicity of 3-chloroaniline (CAS No.- 108-42-9). Escherichia coli was exposed for 12 h. The concentration of the chemical, at which the growth inhibition of Escherichia coli observed (EC50), was determined.The median effective concentration (EC50) of 3-chloroaniline in microorganism (Escherichia coli) in a 12 hr study on the basis of growth inhibition effect was observed to be 343 mg/L.
Moreover, a toxicity test using Tetrahymena pyriformis as test organism was determined by Yoshioka,Y. et al. (Sci. Total Environ.43(1/2): 149-157) for 2-chloroaniline (CAS No. 95-51-2). The ciliate tetrahymena pyriformis was exposed for 24 hours. The 24-h EC50 (concentration at which 50% of the tetrahymena pyriformis population has died after 24 h of exposure) was found to be 200 mg/L.
Thus, based on the above predicted and experimental studies for target substance 2-chloro-p-phenylenediamine (CAS No. 615-66-7) and to its read across substances 3-chloroaniline (CAS No.- 108-42-9) and 2-chloroaniline (CAS No. 95-51-2), the inhibition growth concentration (IGC50) was found to be 510.58 mg/L and EC50 value was found to be in the range of 200.0 to 343.0 mg/L on the basis of various effects (growth inhibition and population effect) in a 12 to 48 hours of exposure.
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