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EC number: 228-770-5 | CAS number: 6358-36-7
- 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:
- according to guideline
- Guideline:
- other: Refer below principle
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.4
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - IUPAC name:4,4'-carbonimidoylbis(N,N-diethylaniline) hydrochloride
- Name of test material (as cited in study report): C.I. Basic Yellow 37
- Molecular formula (if other than submission substance): C21H29N3.ClH
- Molecular weight (if other than submission substance): 359.942 g/mol
- Smiles notation (if other than submission substance): C(=N)(c1ccc(cc1)N(CC)CC)c1ccc(cc1)N(CC)CC.Cl
- InChI: 1S/C21H29N3.ClH/c1-5-23(6-2)19-13-9-17(10-14-19)21(22)18-11-15-20(16-12-18)24(7-3)8-4;/h9-16,22H,5-8H2,1-4H3;1H
- Substance type: Organic
- Physical state: solid - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Tetrahymena pyriformis
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Hardness:
- No data
- Test temperature:
- 24 deg.C
- pH:
- 6.9
- Dissolved oxygen:
- No data
- Salinity:
- No data
- Conductivity:
- No data
- Nominal and measured concentrations:
- No data
- Details on test conditions:
- No data
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 48 h
- Dose descriptor:
- other: IGC50
- Effect conc.:
- 48.77 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- growth inhibition
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The effect concentration (EC50) value for 4,4'-carbonimidoylbis(N,N-diethylaniline) hydrochloride (C.I. Basic Yellow 37) on micro organism species Tetrahymena pyriformis in a 48 hrs. study was estimated to be 48.77 mg/L on the basis of effects on growth inhibition.
- Executive summary:
- The 48 hrs aquatic toxicity was predicted to assess toxic effects of the test compound 4,4'-carbonimidoylbis(N,N-diethylaniline) hydrochloride i.e C.I. Basic Yellow 37 (CAS no. 6358 -36 -7) using OECD QSAR toolbox ver.3.4. The study was based on the effects of the test compound on micro organism species Tetrahymena pyriformis in a static fresh water system. The predicted data suggests the effect concentration (EC50) for the test compound 4,4'-carbonimidoylbis(N,N-diethylaniline) hydrochloride (C.I. Basic Yellow 37) (CAS no. 6358 -3 -7) was estimated to be 48.77 mg/l on the basis of growth inhibition. Thus, based on the effect, it can be concluded that the test chemical 4,4'-carbonimidoylbis(N,N-diethylaniline) hydrochloride (C.I. Basic Yellow 37)may have toxic effect to micro organism for acute exposure.
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" )
and ("c"
and (
not "d")
)
)
and ("e"
and (
not "f")
)
)
and "g" )
and ("h"
and "i" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as SN1 AND SN1 >> Nitrenium Ion
formation AND SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine
by DNA binding by OECD
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as AN2 AND AN2 >> Michael-type
addition to quinoid structures AND AN2 >> Michael-type addition to
quinoid structures >> N-Substituted Aromatic Amines by Protein binding
by OASIS v1.4
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.4
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Nucleophilic
addition reaction with cycloisomerization OR AN2 >> Nucleophilic
addition reaction with cycloisomerization >> Hydrazine Derivatives OR
AN2 >> Nucleophilic addition to alpha, beta-unsaturated carbonyl
compounds OR AN2 >> Nucleophilic addition to alpha, beta-unsaturated
carbonyl compounds >> Alpha, Beta-Unsaturated Aldehydes OR AN2 >> Schiff
base formation OR AN2 >> Schiff base formation >> Alpha,
Beta-Unsaturated Aldehydes OR AN2 >> Schiff base formation by aldehyde
formed after metabolic activation OR AN2 >> Schiff base formation by
aldehyde formed after metabolic activation >> Geminal Polyhaloalkane
Derivatives OR Radical OR Radical >> Radical mechanism via ROS formation
(indirect) OR Radical >> Radical mechanism via ROS formation (indirect)
>> Geminal Polyhaloalkane Derivatives OR Radical >> Radical mechanism
via ROS formation (indirect) >> Hydrazine Derivatives OR Radical >>
Radical mechanism via ROS formation (indirect) >> Nitroaniline
Derivatives OR SN1 OR SN1 >> Nucleophilic attack after reduction and
nitrenium ion formation OR SN1 >> Nucleophilic attack after reduction
and nitrenium ion formation >> Nitroaniline Derivatives OR SN2 OR SN2 >>
Acylation involving a leaving group after metabolic activation OR SN2 >>
Acylation involving a leaving group after metabolic activation >>
Geminal Polyhaloalkane Derivatives OR SN2 >> Direct nucleophilic attack
on diazonium cation OR SN2 >> Direct nucleophilic attack on diazonium
cation >> Hydrazine Derivatives OR SN2 >> Nucleophilic substitution at
sp3 carbon atom after thiol (glutathione) conjugation OR SN2 >>
Nucleophilic substitution at sp3 carbon atom after thiol (glutathione)
conjugation >> Geminal Polyhaloalkane Derivatives by DNA binding by
OASIS v.1.4
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as SN1 AND SN1 >> Nitrenium Ion
formation AND SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine
by DNA binding by OECD
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as No alert found OR SN1 >>
Nitrenium Ion formation >> Aromatic nitro OR SN1 >> Nitrenium Ion
formation >> Secondary aromatic amine by DNA binding by OECD
Domain
logical expression index: "g"
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: "h"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 2.17
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 5.12
Description of key information
The 48 hrs aquatic toxicity was predicted to assess toxic effects of the test compound 4,4'-carbonimidoylbis(N,N-diethylaniline) monohydrochloride i.e C.I. Basic Yellow 37 (CAS no. 6358 -36 -7) using OECD QSAR toolbox ver.3.4. The study was based on the effects of the test compound on micro organism species Tetrahymena pyriformis in a static fresh water system. The predicted data suggests the effect concentration (EC50) for the test compound 4,4'-carbonimidoylbis(N,N-diethylaniline) monohydrochloride (C.I. Basic Yellow 37) (CAS no. 6358 -3 -7) was estimated to be 48.77 mg/l on the basis of growth inhibition. Thus, based on the effect, it can be concluded that the test chemical 4,4'-carbonimidoylbis(N,N-diethylaniline) monohydrochloride (C.I. Basic Yellow 37)may have toxic effect to micro organism for acute exposure.
Key value for chemical safety assessment
- EC50 for microorganisms:
- 48.77 mg/L
Additional information
Three studies including predicted data and experimental results of toxicity to micro organism for the target chemical 4,4'-carbonimidoylbis(N,N-diethylaniline) hydrochloride i.e C.I. Basic Yellow 37 (CAS no. 6358-36-7) with relevant read across chemicals which is close to target using log Kow as primary descriptor were reviewed to summarize the following information:
First summary indicate the 48 hrs aquatic toxicity was predicted to assess toxic effects of the test compound 4,4'-carbonimidoylbis(N,N-diethylaniline) monohydrochloride i.e C.I. Basic Yellow 37 (CAS no. 6358 -36 -7) using OECD QSAR toolbox ver.3.4. The study was based on the effects of the test compound on micro organism species Tetrahymena pyriformis in a static fresh water system. The predicted data suggests the effect concentration (EC50) for the test compound 4,4'-carbonimidoylbis(N,N-diethylaniline) monohydrochloride (C.I. Basic Yellow 37) (CAS no. 6358 -3 -7) was estimated to be 48.77 mg/l on the basis of growth inhibition. Thus, based on the effect, it can be concluded that the test chemical 4,4'-carbonimidoylbis(N,N-diethylaniline) monohydrochloride (C.I. Basic Yellow 37) may have toxic effect to micro organism for acute exposure.
Whereas experimental result (Water Pollution Research Journal of Canada Vol. 26, No. 3, pg 361-431, 1991) for read across chemical N,N-dimethylaniline (CAS no. 121-69-7) indicate Effective concentration (EC50) value of N,N-dimethylaniline to Photobacterium phosphoreum was found to be 13.6 mg/L (ppm) in a 30 min Microtox test based on the effect of reduction in light emission.
And another experimental result for read across N,N-diethylaniline (Cas no. 91-66-7) indicate The 50 percent growth impairment concentration (IGC 50) of N,N-diethylaniline in the micro-organism Tetrahymena pyriformis during a 48 hr study was reported as 0.67mg/L. (Toxicology methods, 7, 289-309.; 1997)
Based on the above all available results, it can be concluded that the test substance 4,4'-carbonimidoylbis(N,N-diethylaniline) monohydrochloride i.e C.I. Basic Yellow 37 (CAS no. 6358-36-7) may toxic to micro organism for acute exposure.
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