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EC number: 222-326-4 | CAS number: 3426-43-5
- 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
Adsorption / desorption
Some information in this page has been claimed confidential.
Administrative data
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
- Principles of method if other than guideline:
- To determine Adsorption coefficient (KOC) on soil and on sewage sludge of the test chemical Disodium 4,4'-bis[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate (CAS no. 3426-43-5) using HPLC.
- GLP compliance:
- no
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
Test material
- Details on test material:
- Name: disodium 4,4'-bis[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate
SMILES:COc1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(OC)n4)cc3S(=O)(=O)O{-}.[Na]{+})c(S(=O)(=O)O{-}.[Na]{+})c2)n1
InChI:1S/C34H30N10O8S2.2Na/c1-51-33-41-29(35-23-9-5-3-6-10-23)39-31(43-33)37-25-17-15-21(27(19-25)53(45,46)47)13-14-22-16-18-26(20-28(22)54(48,49)50)38-32-40-30(42-34(44-32)52-2)36-24-11-7-4-8-12-24;;/h3-20H,1-2H3,(H,45,46,47)(H,48,49,50)(H2,35,37,39,41,43)(H2,36,38,40,42,44);;/q;2*+1/p-2/b14-13+;;
Molecular Weight: 814.769 g/mole
Molecular Formulas: C34H28N10O8S2.2Na
Constituent 1
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): Disodium 4,4'-bis[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate
- Molecular formula: C34H30N10O8S2.2Na
- Molecular weight: 814.769 g/mol
- Smiles : [Na+].[Na+].C(=C\c1c(cc(cc1)Nc1nc(nc(n1)OC)Nc1ccccc1)S(=O)(=O)[O-])\c1c(cc(cc1)Nc1nc(nc(n1)OC)Nc1ccccc1)S(=O)(=O)[O-]
- InChI : 1S/C34H30N10O8S2.2Na/c1-51-33-41-29(35-23-9-5-3-6-10-23)39-31(43-33)37-25-17-15-21(27(19-25)53(45,46)47)13-14-22-16-18-26(20-28(22)54(48,49)50)38-32-40-30(42-34(44-32)52-2)36-24-11-7-4-8-12-24;;/h3-20H,1-2H3,(H,45,46,47)(H,48,49,50)(H2,35,37,39,41,43)(H2,36,38,40,42,44);;/q;2*+1/p-2/b14-13+;;
- Substance Type: Organic
- Physical State: Solid
- Batch No.: 3291/17-18
- Physical Appearance: yellowish green powder
- Stability: Stable in recommended storage conditions
- Storage Conditions: Ambient Temp (23 to 27 °C) - Radiolabelling:
- not specified
Study design
- Test temperature:
- 25°C
HPLC method
- Details on study design: HPLC method:
- HPLC Procedure:
The solutions of the test substance and reference substances were prepared in solvent mentioned in 4.3. Each of the reference substance and test substance were analysed by HPLC at 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(table 3).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor.
Operating Conditions:
HPLC Model No. : Agilent Technologies,1260 Infinity
Flow Rate : 1.0ml/min
Column : ZORBAX Eclipse Plus C18, 4.6×100mm, 3.5 μm
Mobile phase : ACN : water (55:45)
Temperature : 25°C
Detector : Diode Array Detector @210nm
Injector : Autosampler
Injector volume : 10μl
Data Acquisition software : ChemStationOpen lab Control Panel
Batch equilibrium or other method
- Analytical monitoring:
- not specified
- Details on sampling:
- - Concentrations: 400 mg/l
- Sampling interval: A test item solution was prepared by accurately weighing 4 mg of test item and diluted with Acetonitrile up to 10ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 7.1.
Results and discussion
Adsorption coefficient
- Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- 1.017 dimensionless
- pH:
- 7.1
- Temp.:
- 25 °C
- Remarks on result:
- other: Log Koc value reported as 1.017± 0.008
Results: HPLC method
- Details on results (HPLC method):
- The Adsorption coefficient (KOC) on soil and on sewage sludge of the Disodium 4,4'-bis[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate (CAS No. 3426-43-5) was determined to be 1.017±0.008 at 25°C
Results: Batch equilibrium or other method
- Transformation products:
- not specified
Any other information on results incl. tables
Test substance |
K |
LogK |
Log Koc by Generalized Calibration Graph |
Mean of Log Koc ± S.D. |
|
tR1 |
0.827 |
-0.068 |
-1.170 |
1.022 |
1.017 ± 0.008 |
tR2 |
0.829 |
-0.065 |
-1.184 |
1.011 |
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The Adsorption Coefficient of test substance Disodium 4,4'-bis[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate (CAS No. 3426-43-5) was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 1.017± 0.008 at 25°C.
- Executive summary:
The adsorption coefficient Koc in soil and in sewage sludge of test chemical Disodium 4,4'-bis[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate (CAS No. 3426-43-5) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals. The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with Acetonitrile up to 10ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 7.1. Each of the reference substance and test substance were analysed by HPLC at 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(Annex - 2).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared or chosen according to structural similarity with the test substance and calibration graph prepared. The reference substances were Acetanilide, 4-chloroaniline, 4-methylaniline(p-Tolouidine), N-methylaniline, p-toluamide, Aniline, 2,5 -Dichloroaniline, 4 -nitrophenol, 2 - nitrophenol, 2-nitrobenzamide, 3-nitrobenzamide, Nitrobenzene, 4-Nitrobenzamide, 1-naphtol, Direct Red 81, Benzoic acid methylester, Carbendazim, Benzoic acid phenylester, Xylene, Ethylbenzene, Toluene, Naphthalene, 1,2,3 -trichlorobenzene, Pentachlorophenol, N,N-dimethylbenzamide, 3,5 -dinitrobenzamide, N-methylbenzamide, Benzamide, phenanthrene having Koc value ranging from 1.25 to 4.09. The Log Koc value of test chemical Disodium 4,4'-bis[(4-anilino-6-methoxy-1,3,5-triazin-2 -yl)amino]stilbene-2,2'- disulphonate was determined to be 1.017± 0.008 at 25°C. This log Koc value indicates that the substance Disodium 4,4'-bis[(4 -anilino-6 -methoxy-1,3,5 -triazin-2-yl)amino]stilbene- 2,2'-disulphonate has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
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