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EC number: 229-100-4 | CAS number: 6410-30-6
- 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
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: screening tests
- 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:
- OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
- Principles of method if other than guideline:
- The data is predicted using the OECD QSAR toolbox version 3.4 with logKow as the primary descriptor.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): N-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide
- Molecular formula: C24H17ClN4O4
- Molecular weight: 460.875 g/mol
- Smiles notation: c12c(c(c(C(Nc3ccc(Cl)cc3)=O)cc1cccc2)O)\N=N\c1cc(ccc1C)[N+](=O)[O-]
- InChl: 1S/C24H17ClN4O4/c1-14-6-11-18(29(32)33)13-21(14)27-28-22-19-5-3-2-4-15(19)12-20(23(22)30)24(31)26-17-9-7-16(25)8-10-17/h2-13,30H,1H3,(H,26,31)/b28-27+
- Substance type: Organic
- Physical state: Solid - Oxygen conditions:
- aerobic
- Inoculum or test system:
- other: Microorganisms
- Duration of test (contact time):
- 28 d
- Based on:
- not specified
- Parameter followed for biodegradation estimation:
- other: BOD
- Key result
- Parameter:
- other: BOD
- Value:
- 4.4
- Sampling time:
- 28 d
- Remarks on result:
- other: Other details not known
- Details on results:
- Test substance undergoes 4.4% degradation by BOD in 28 days.
- Validity criteria fulfilled:
- not specified
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- The test chemical N-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide was estimated to be not readily biodegradable in water.
- Executive summary:
Biodegradability of N-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide (CAS no. 6410 -30 -6) is predicted using OECD QSAR toolbox version 3.4 with logKow as the primary descriptor. Test substance undergoes 4.4% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical
N-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide was estimated to be not readily biodegradable in water.
Reference
The
prediction was based on dataset comprised from the following
descriptors: BOD
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" )
and ("m"
and "n" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Non-covalent interaction AND
Non-covalent interaction >> DNA intercalation AND Non-covalent
interaction >> DNA intercalation >> DNA Intercalators with Carboxamide
and Aminoalkylamine Side Chain by DNA binding by OASIS v.1.4
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as SN1 AND SN1 >> Nitrenium Ion
formation AND SN1 >> Nitrenium Ion formation >> Aromatic azo AND SN1 >>
Nitrenium Ion formation >> Aromatic nitro by DNA binding by OECD
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Acylation involving an activated (glucuronidated) carboxamide group AND
Acylation >> Acylation involving an activated (glucuronidated)
carboxamide group >> Carboxylic Acid Amides AND Acylation >> Direct
acylation involving a leaving group AND Acylation >> Direct acylation
involving a leaving group >> Carboxylic Acid Amides AND Acylation >>
Ester aminolysis AND Acylation >> Ester aminolysis >> Amides AND AN2 AND
AN2 >> Michael-type addition to quinoid structures AND AN2 >>
Michael-type addition to quinoid structures >> Carboxylic Acid Amides
by Protein binding by OASIS v1.4
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Direct Acylation Involving a Leaving group AND Acylation >> Direct
Acylation Involving a Leaving group >> Acetates by Protein binding by
OECD
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Amides AND Phenol Amines AND
Phenols by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Acylation involving an activated (glucuronidated) carboxamide group AND
Acylation >> Acylation involving an activated (glucuronidated)
carboxamide group >> Carboxylic Acid Amides AND Acylation >> Direct
acylation involving a leaving group AND Acylation >> Direct acylation
involving a leaving group >> Carboxylic Acid Amides AND Acylation >>
Ester aminolysis AND Acylation >> Ester aminolysis >> Amides AND AN2 AND
AN2 >> Michael-type addition to quinoid structures AND AN2 >>
Michael-type addition to quinoid structures >> Carboxylic Acid Amides
by Protein binding by OASIS v1.4
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Acylation >> Acylation involving
an activated (glucuronidated) ester group OR Acylation >> Acylation
involving an activated (glucuronidated) ester group >> Arenecarboxylic
Acid Esters OR Acylation >> Direct acylation involving a leaving group
>> Anhydrides (sulphur analogues of anhydrides) OR Acylation >> Direct
acylation involving a leaving group >> N-Haloacylamides OR Acylation >>
Ester aminolysis or thiolysis OR Acylation >> Ester aminolysis or
thiolysis >> Activated aryl esters OR AN2 >> Michael addition to
activated double bonds OR AN2 >> Michael addition to activated double
bonds >> alpha,beta-Unsaturated Carbonyls and Related Compounds OR AN2
>> Michael addition to activated double bonds in heterocyclic ring
systems OR AN2 >> Michael addition to activated double bonds in
heterocyclic ring systems >> Pyrazolone and Pyrazolidine Derivatives OR
AN2 >> Michael addition to alpha, beta-unsaturated acids and esters OR
AN2 >> Michael addition to alpha, beta-unsaturated acids and esters >>
alpha,beta-Unsaturated Carboxylic Acids and Esters OR AN2 >> Michael
type addition to activated double bond of pyrimidine bases OR AN2 >>
Michael type addition to activated double bond of pyrimidine bases >>
Pyrimidines and Purines OR AN2 >> Michael type nucleophilic addition and
Schiff base formation OR AN2 >> Michael type nucleophilic addition and
Schiff base formation >> Halogenated Vicinal Hydrocarbons OR AN2 >>
Michael-type addition to quinoid structures >> N-Substituted Aromatic
Amines OR AN2 >> Michael-type addition to quinoid structures >>
Substituted Anilines OR AN2 >> Michael-type addition to quinoid
structures >> Substituted Phenols OR AN2 >> Schiff base formation with
carbonyl compounds (AN2) OR AN2 >> Schiff base formation with carbonyl
compounds (AN2) >> Pyrazolone and Pyrazolidine Derivatives OR AN2 >>
Schiff base formation with carbonyl group of pyrimidine and purine bases
OR AN2 >> Schiff base formation with carbonyl group of pyrimidine and
purine bases >> Pyrimidines and Purines OR Michael addition OR Michael
addition >> Michael addition on conjugated systems with electron
withdrawing group OR Michael addition >> Michael addition on conjugated
systems with electron withdrawing group >> alpha,beta-Carbonyl compounds
with polarized double bonds OR Michael addition >> Michael type
addition on quinone type chemicals OR Michael addition >> Michael type
addition on quinone type chemicals >> Pyranones, Pyridones (and related
nitrogen chemicals) OR No alert found OR Nucleophilic addition OR
Nucleophilic addition >> Addition to carbon-hetero double bonds OR
Nucleophilic addition >> Addition to carbon-hetero double bonds >>
Ketones OR Schiff base formation OR Schiff base formation >> Direct
acting Schiff base formers OR Schiff base formation >> Direct acting
Schiff base formers >> 1,2-Dicarbonyls and 1,3-Dicarbonyls OR Schiff
base formation >> Schiff base on pyrazolones and pyrazolidinones OR
Schiff base formation >> Schiff base on pyrazolones and pyrazolidinones
>> Pyrazolones and Pyrazolidinones OR SN2 OR SN2 >> Nucleophilic
substitution at sp3 carbon atom OR SN2 >> Nucleophilic substitution at
sp3 carbon atom >> Alkyl halides OR SN2 >> Nucleophilic substitution at
sp3 carbon atom >> alpha-Activated haloalkanes OR SN2 >> Nucleophilic
type substitution together with ring-opening of an episulfonium ion
intermediate OR SN2 >> Nucleophilic type substitution together with
ring-opening of an episulfonium ion intermediate >> Halogenated Vicinal
Hydrocarbons OR SN2 >> SN2 reaction at a sulfur atom OR SN2 >> SN2
reaction at a sulfur atom >> Isothiazolidin-3-ones (sulphur) and
Isothiazolone derivatives by Protein binding by OASIS v1.4
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Direct Acylation Involving a Leaving group AND Acylation >> Direct
Acylation Involving a Leaving group >> Acetates by Protein binding by
OECD
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as No alert found OR SN2 OR SN2 >>
SN2 reaction at sp3 carbon atom OR SN2 >> SN2 reaction at sp3 carbon
atom >> Alkyl diazo OR SN2 >> SN2 reaction at sp3 carbon atom >> Allyl
acetates and related chemicals OR SNAr OR SNAr >> Nucleophilic aromatic
substitution OR SNAr >> Nucleophilic aromatic substitution >> Activated
halo-benzenes by Protein binding by OECD
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as days - weeks by Biodeg primary
(Biowin 4) ONLY
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 5) ONLY
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is >= 237
Da
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is <= 520
Da
Description of key information
Biodegradability of N-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide (CAS no. 6410 -30 -6) is predicted using OECD QSAR toolbox version 3.4 (2017) with logKow as the primary descriptor. Test substance undergoes 4.4% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical
N-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide was estimated to be not readily biodegradable in water.
Key value for chemical safety assessment
- Biodegradation in water:
- under test conditions no biodegradation observed
Additional information
Various predicted data for the target compound N-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide (CAS No. 6410-30-6) and supporting weight of evidence studies for its read across substance were reviewed for the biodegradation end point which are summarized as below:
In a prediction done by SSS (2017) using OECD QSAR toolbox version 3.4 with logKow as the primary descriptor, percentage biodegradability of test chemical N-(4 -chlorophenyl)-3 -hydroxy-4 -[(E)-2 -(2 -methyl-5 -nitrophenyl)diazen-1 -yl]naphthalene-2 -carboxamide (CAS No. 6410 -30 -6) was estimated.Test substance undergoes 4.4% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical N-(4 -chlorophenyl)-3 -hydroxy-4 -[(E)-2 -(2 -methyl-5 -nitrophenyl)diazen-1 -yl]naphthalene-2 -carboxamide was estimated to be not readily biodegradable in water.
In another prediction using the Estimation Programs Interface Suite (EPI suite, 2017), the biodegradation potential of the test compound N-(4 -chlorophenyl)-3 -hydroxy-4 -[(E)-2 -(2 -methyl-5 -nitrophenyl)diazen-1 -yl]naphthalene-2 -carboxamide (CAS No. 6410 -30 -6) in the presence of mixed populations of environmental microorganisms was estimated.The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical N-(4 -chlorophenyl)-3 -hydroxy-4 -[(E)-2 -(2 -methyl-5 -nitrophenyl)diazen-1 -yl]naphthalene-2 -carboxamide is expected to be not readily biodegradable.
For the read across chemical(1Z)-1-(phenylhydrazinylidene)naphthalen-2-one(CAS no. 842-07-9),the carbon dioxide evolution test (former Sturm test) is a static method used for evaluating the ultimate aerobic biodegradability of a read across substance(1Z)-1-(phenylhydrazinylidene)naphthalen-2-onein water (Sustainability Support Services (Europe) AB has letter of access, Report no. 03/0063/36/ 1, 2003). Activated sludge was obtained from laboratory wastewater plant treating municipal sewage. Activated sludge of a concentration of 30 mg/I dry substance was pre-aerated for about two days before the start of the test. Mixtures of the test substance, a defined inorganic medium and a non pre-adapted inoculurn (e .g. activated sludge or effluent of a municipal or laboratory waste water treatment plant) are incubated and aerated at room temperature up to 28 days. The biologically produced carbon dioxide is trapped in a 0,25 mol. potassium hydroxide solution. The production of carbon dioxide (C02) is a clear indication of biodegradation. The measured amount of carbon dioxide at the end of the test is compared with the calculated maximal theoretical production (ThC02) and indicated as biodegradation degree in percent. The conductivity shift of the absorption solution is used for calculating of the C02 production. Biodegradation degree of the reference substance after 14 days (% CO2/ThCO2): 60 - 70%. The percentage degradation of the read across substance(1Z)-1-(phenylhydrazinylidene)naphthalen-2-onewas determined to be <10% in 28 days by CO2/ThCO2 parameter. Thus, the substance(1Z)-1-(phenylhydrazinylidene)naphthalen-2-oneis considered to be not readily biodegradable according to OECD criteria.
In a supporting weight of evidence study from authoritative database (J-CHECK, 2017 and Envichem, 2014) and secondary source (OECD SIDS, 1999 and HPVIS, 2017) for the read across chemical Barium bis[2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate] (CAS no. 5160-02-1), biodegradation experiment was conducted for 14 days for evaluating the percentage biodegradability of read across substance Barium bis[2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate]. The study was performed according to OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I)) under aerobic conditions. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of read across substance Barium bis[2 -chloro-5 -[(2 -hydroxy-1 -naphthyl)azo]toluene-4 -sulphonate] was determined to be 0% by BOD parameter in 14 days. Thus, based on percentage degradation, Barium bis[2 -chloro-5 -[(2 -hydroxy-1 -naphthyl)azo]toluene-4 -sulphonate] is considered to be not readily biodegradable in nature.
Another biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of the same read across substance Barium bis[2 -chloro-5 -[(2 -hydroxy-1 -naphthyl)azo]toluene-4 -sulphonate] (CAS no. 5160 -02 -1) (OECD SIDS, 1999 and HPVIS, 2017). The study was performed according to OECD Guideline 302 B (Inherent biodegradability: Zahn-Wellens/EMPA Test) under aerobic conditions. Activated sludge was used as a test inoculum for the study. Initial test substance conc. used in the study was 1300 mg/l. The percentage degradation of read across substance Barium bis[2 -chloro-5 -[(2 -hydroxy-1 -naphthyl)azo] toluene-4 -sulphonate] was determined to be 25, 26, 28 and 33% in 5, 10, 15 and 21 days, respectively. Thus, based on percentage degradation, Barium bis[2 -chloro-5 -[(2 -hydroxy-1 -naphthyl)azo]toluene-4 -sulphonate] is considered to be not readily biodegradable in nature.
On the basis of above results for target chemicalN-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamide(from OECD QSAR toolbox version 3.4 and EPI suite, 2017) and for its read across substance (from experimental study report, authoritative database J-CHECK, Envichem and secondary source), it can be concluded that the test substanceN-(4-chlorophenyl)-3-hydroxy-4-[(E)-2-(2-methyl-5-nitrophenyl)diazen-1-yl]naphthalene-2-carboxamidecan be expected to be not readily biodegradable in nature.
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