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Diss Factsheets
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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
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- 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:
- Data is predicted by OECD QSAR Toolbox version 3.. The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- The data is predicted using the OECD QSAR toolbox version 3.3 with log Kow as the primary descriptor.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): Benzenamine, 4,4'-carbonimidoylbis(N,N-diethyl-), hydrochloride (1:1), Basic Yellow 37
- Molecular formula : C21H29N3.ClH
- Molecular weight : 359.942 g/mol
- Smiles notation : C(=N)(c1ccc(cc1)N(CC)CC)c1ccc(cc1)N(CC)CC.Cl
- InChl : 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 - Radiolabelling:
- not specified
- Analytical monitoring:
- not specified
- Details on sampling:
- not specified
- Buffers:
- not specified
- Estimation method (if used):
- The data is predicted using the OECD QSAR toolbox version 3.4 with log Kow as the primary descriptor.
- Details on test conditions:
- not specified
- Remarks:
- not specified
- Number of replicates:
- not specified
- Positive controls:
- not specified
- Negative controls:
- not specified
- Statistical methods:
- not specified
- Preliminary study:
- not specified
- Test performance:
- not specified
- Transformation products:
- not specified
- Details on hydrolysis and appearance of transformation product(s):
- not specified
- Key result
- DT50:
- 156.42 d
- Type:
- not specified
- Remarks on result:
- other: other details not specified
- Other kinetic parameters:
- not specified
- Details on results:
- not specified
- Results with reference substance:
- not specified
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The hydrolytic half-life of 4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride was estimated to be 156.41 days, indicating that it is
very negligibly hydrolysable. - Executive summary:
Hydrolysis of 4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride was predicted using OECD QSAR toolbox version 3.3 (2017). The
hydrolytic half-life of 4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride was estimated to be 156.41 days. This value indicates that
4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride very negligibly hydrolysable.
Reference
Estimation
method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((("a"
or "b" )
and "c" )
and "d" )
and ("e"
and "f" )
)
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 Inorganic Compound AND Not
Related to an Existing ECOSAR Class by Aquatic toxicity classification
by ECOSAR
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as days - weeks AND weeks - months
by Biodeg primary (Biowin 4) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Not calculated by Hydrolysis
half-life (Ka, pH 7)(Hydrowin) ONLY
Domain
logical expression index: "e"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is >= 116
Da
Domain
logical expression index: "f"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is <=
1.02E003 Da
Description of key information
The hydrolytic half-life of 4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride was estimated to be 156.41 days, indicating that it is
very negligibly hydrolysable.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 156.41 d
Additional information
Predicted data for the test substance 4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride and its structurally related substance were reviewed for hydrolysis endpoint and are presented below as weight of evidence approach:
Hydrolysis of4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloridewas predicted using OECD QSAR toolbox version 3.3 (2017). The
hydrolytic half-life of 4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride was estimated to be 156.41 days. This value indicates that
4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride very negligibly hydrolysable.
The hydrolysis rate conatant of structuralyy related chemical 4-[(4-dimethylaminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride (CAS 569 -64 -2) estimated is 4.31e-11 cm3/mol/sec, as this hydrolysis rate constant is very less this chemical shows negligible hydrolysis and it is also supported by data obtained from authoritative database ( HSDB) that this chemical lack hydrolyzable functional group and does not undergo hyrolysis.
Considering the above summarised data and by applying weight of evidence approach it can be concluded that the substance
4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride is very negligibly/ slowly hydrolysable.
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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