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EC number: 220-051-4 | CAS number: 2618-96-4
- 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-(benzenesulfonyl)benzenesulfonamide
- Common name: N-(phenylsulphonyl)benzenesulphonamide
- Molecular formula : C12H11NO4S2
- Molecular weight : 297.354 g/mol
- Smiles notation :
O=S(=O)(NS(=O)(=O)c1ccccc1)c1ccccc1
- InChl : 1S/C12H11NO4S2/c14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12/h1-10,13H
- 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:
- 0.833
- Sampling time:
- 28 d
- Remarks on result:
- other: Other details not known
- Details on results:
- Test substance undergoes 0.83% degradation by BOD in 28 days.
- Validity criteria fulfilled:
- not specified
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- The test chemical N-(benzenesulfonyl)benzenesulfonamide was estimated to be not readily biodegradable in water.
- Executive summary:
Biodegradability of N-(benzenesulfonyl)benzenesulfonamide (CAS no. 2618 -96 -4) is predicted using QSAR toolbox version 3.4 with logKow as the primary descriptor. Test substance undergoes 0.83% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical N-(benzenesulfonyl)benzenesulfonamide 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 6 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((("a"
or "b" or "c" )
and "d" )
and "e" )
and "f" )
and "g" )
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and "l" )
and ("m"
and (
not "n")
)
)
and ("o"
and "p" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Acylation involving an activated (glucuronidated) sulfonamide group AND
Acylation >> Acylation involving an activated (glucuronidated)
sulfonamide group >> Arenesulfonamides AND AN2 AND AN2 >> Nucleophilic
addition at polarized N-functional double bond AND AN2 >> Nucleophilic
addition at polarized N-functional double bond >> Arenesulfonamides by
Protein binding by OASIS v1.4
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Acylation involving an activated (glucuronidated) sulfonamide group AND
Acylation >> Acylation involving an activated (glucuronidated)
sulfonamide group >> Arenesulfonamides AND AN2 AND AN2 >> Nucleophilic
addition at polarized N-functional double bond AND AN2 >> Nucleophilic
addition at polarized N-functional double bond >> Arenesulfonamides by
Protein binding by OASIS v1.4
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Amides by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as days - weeks by Biodeg primary
(Biowin 4) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 5) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 6) ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as weeks - months by Biodeg
ultimate (Biowin 3) ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.4
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition, quinoid structures OR AN2 >> Michael-type addition, quinoid
structures >> Quinones and Trihydroxybenzenes OR AN2 >> Nucleophilic
addition reaction with cycloisomerization OR AN2 >> Nucleophilic
addition reaction with cycloisomerization >> Hydrazine Derivatives OR
Non-covalent interaction OR Non-covalent interaction >> DNA
intercalation OR Non-covalent interaction >> DNA intercalation >> Amino
Anthraquinones OR Non-covalent interaction >> DNA intercalation >> DNA
Intercalators with Carboxamide and Aminoalkylamine Side Chain OR
Non-covalent interaction >> DNA intercalation >> Quinones and
Trihydroxybenzenes OR Radical OR Radical >> Radical mechanism via ROS
formation (indirect) OR Radical >> Radical mechanism via ROS formation
(indirect) >> Amino Anthraquinones OR Radical >> Radical mechanism via
ROS formation (indirect) >> Hydrazine Derivatives OR Radical >> Radical
mechanism via ROS formation (indirect) >> Quinones and
Trihydroxybenzenes OR Radical >> Radical mechanism via ROS formation
(indirect) >> Single-Ring Substituted Primary Aromatic Amines OR SN1 OR
SN1 >> Nucleophilic attack after metabolic nitrenium ion formation OR
SN1 >> Nucleophilic attack after metabolic nitrenium ion formation >>
Amino Anthraquinones OR SN1 >> Nucleophilic attack after nitrenium ion
formation OR SN1 >> Nucleophilic attack after nitrenium ion formation >>
Single-Ring Substituted Primary Aromatic Amines OR SN2 OR SN2 >> Direct
nucleophilic attack on diazonium cation OR SN2 >> Direct nucleophilic
attack on diazonium cation >> Hydrazine Derivatives by DNA binding by
OASIS v.1.4
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Michael addition OR Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals OR Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Arenes OR SN1 OR SN1 >> Iminium Ion
Formation OR SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines
OR SN1 >> Nitrenium Ion formation OR SN1 >> Nitrenium Ion formation >>
Aromatic nitro by DNA binding by OECD
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Aromatic-H AND Benzene AND
Unsubstituted phenyl group (C6H5-) by Bioaccumulation - metabolism alerts
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as -CH2- [linear] by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is >= 157
Da
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is <= 323
Da
Description of key information
Biodegradability of N-(benzenesulfonyl)benzenesulfonamide (CAS no. 2618 -96 -4) is predicted using QSAR toolbox version 3.4 (2017) with logKow as the primary descriptor. Test substance undergoes 0.83% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical N-(benzenesulfonyl)benzenesulfonamide 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-(benzenesulfonyl)benzenesulfonamide (CAS No. 2618-96-4) and supporting weight of evidence studies for its structurally similar 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-(benzenesulfonyl)benzene sulfonamide(CAS No. 2618 -96 -4) was estimated.Test substance undergoes 0.83% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical N-(benzene sulfonyl)benzenesulfonamidewas 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 compoundN-(benzenesulfonyl)benzenesulfonamide(CAS No. 2618-96-4) 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 chemicalN-(benzenesulfonyl)benzenesulfonamideis expected to be not readily biodegradable.
In a supporting weight of evidence study from authoritative database (J-CHECK, 2017 and EnviChem, 2014) for the read across chemical 3 -nitro-N-phenyl-4 -(phenylamino)benzene-1 -sulfonamide (CAS no. 5124 -25 -4), biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of read across substance 3-nitro-N-phenyl-4-(phenylamino)benzene-1-sulfonamide. The study was performed according to OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I)). 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 substance 3 -nitro-N-phenyl-4 -(phenylamino)benzene-1 -sulfonamide was determined to be 0 and 5% by BOD and UV-Vis parameter in 28 days. Thus, based on percentage degradation, 3 -nitro-N-phenyl-4 -(phenylamino)benzene-1 -sulfonamide is considered to be not readily biodegradable in nature.
For the read across chemical N-Butyl-benzenesulfonamide (CAS no. 3622-84-2), biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across substance N-Butyl-benzenesulfonamide (J-CHECK, 2017). 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 substance N-Butyl-benzenesulfonamide was determined to be 0 and 1% by BOD, TOC removal and HPLC parameter in 28 days. Thus, based on percentage degradation, N-Butyl-benzenesulfonamide is considered to be not readily biodegradable in nature.
Another biodegradation study from secondary source (HPVIS, 2017) was conducted for 28 days for evaluating the percentage biodegradability of read across substance N-Butyl-benzene sulfonamide (CAS no. 3622 -84 -2). The study was performed according to OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test).Activated sludge was used as a test inoculum obtained from sewage treatment plant, Netherlands. Concentrated sludge (6.5 g solids/L) was left to settle for 30 min; the decanted liquid was used as inoculum (7.65 ml/L mineral medium). Initial test substance conc. used for the study were21.75 & 21.8 mg/l based on test material and 45.0 & 45.2 mg/l based on CO2 mg/l, respectively. OECD mineral medium was used as a test medium for the study. Study was performed using brown glass bottles of 2l volume at a temperature of 20-23°C. Sampling was done on day 1, 4, 6, 8, 11, 14, 18, 22, 26 and 28, respectively. Sodium acetate (40.2 mg/l) was used as a reference substance for the study. 10-day window criteria was not reached. ThCO2 was determined to be 2.07 mg CO2/mg test substance. The percentage degradation of substance N-Butyl-benzenesulfonamide was determined to be 12 and 23% at 21.8 and 21.75 mg/l conc. by CO2 evolution parameter in 28 days. Thus, based on percentage degradation, N-Butyl-benzenesulfonamide is considered to be not readily biodegradable in nature.
In a supporting weight of evidence study for the same read across chemical N-Butyl-benzenesulfonamide (CAS no. 3622-84-2),biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of read across substance N-Butyl-benzenesulfonamide (HPVIS, 2017). The study was performed according to OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test). Activated sludge was used as a test inoculum. Initial test substance conc. used for the study was21.5 mg/l, respectively. The percentage degradation of substance N-Butyl-benzenesulfonamide was determined to be 18% by CO2 evolution parameter in 28 days. Thus, based on percentage degradation, N-Butyl-benzenesulfonamide is considered to be not readily biodegradable in nature.
On the basis of above results for target chemicalN-(benzenesulfonyl)benzenesulfonamide(from OECD QSAR toolbox version 3.4 and EPI suite, 2017) and for its read across substance (from authoritative database J-CHECK & EnviChem and secondary source HPVIS), it can be concluded that the test substanceN-(benzenesulfonyl)benzenesulfonamidecan be expected to be not readily biodegradable in nature.
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