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EC number: 257-399-1 | CAS number: 51765-51-6
- 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
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- 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: as mentioned below
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3 with log kow as the primary discriptors.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): N-(2-phenoxyphenyl)methanesulfonamide
- Molecular formula: C13H13NO3S
- Molecular weight: 263.316 g/mol
- Smiles notation: S(Nc1c(Oc2ccccc2)cccc1)(=O)(=O)C
- InChI: 1S/C13H13NO3S/c1-18(15,16)14-12-9-5-6-10-13(12)17-11-7-3-2-4-8-11/h2-10,14H,1H3
- Substance type: Organic
- Physical state: Solid - Test organisms (species):
- Daphnia magna
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Test temperature:
- 20°C
- pH:
- 7.7-8.8
- Dissolved oxygen:
- 8.8 - 9.0 mgO2/L
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 21.34 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Intoxication
- Validity criteria fulfilled:
- not specified
- Conclusions:
- EC50 value was estimated to be 21.34 mg/l for Daphnia magna for 48 hrs duration. Based on the value,N-(2-phenoxyphenyl)methanesulfonamide(CAS: 51765-51-6)was considered to be toxic to aquatic invertebrates and can be considered as classified in aquatic chronic 3 category as per the CLP regulations.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted forN-(2-phenoxyphenyl)methanesulfonamide(CAS: 51765-51-6). EC50 value was estimated to be 21.34 mg/l for Daphnia magna for 48 hrs duration. Based on the value,N-(2-phenoxyphenyl)methanesulfonamide(CAS: 51765-51-6)was considered to be toxic to aquatic invertebrates and can be considered as classified in aquatic chronic 3 category as per the CLP regulations.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
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" or "f" )
and "g" )
and "h" )
and "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 Aryl AND Ether AND Sulfonamide
by Organic Functional groups
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aryl AND Ether AND Overlapping
groups AND Sulfonamide by Organic Functional groups (nested)
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic
Nitrogen, one aromatic attach [-N] AND Aliphatic Oxygen, two aromatic
attach [-O-] AND Aromatic Carbon [C] AND Miscellaneous sulfide (=S) or
oxide (=O) AND Olefinic carbon [=CH- or =C<] AND Oxygen, two olefinic
attach [-O-] AND Suflur {v+4} or {v+6} AND Sulfamide, aliphatic attach
[-SO2-N] AND Sulfonyl amide, aliphatic attach [-S(=O)N-] AND Sulfur,
nitrogen attach [-S-] by Organic functional groups (US EPA)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic
Nitrogen, one aromatic attach [-N] AND Aliphatic Oxygen, two aromatic
attach [-O-] AND Aromatic Carbon [C] AND Miscellaneous sulfide (=S) or
oxide (=O) AND Olefinic carbon [=CH- or =C<] AND Oxygen, two olefinic
attach [-O-] AND Suflur {v+4} or {v+6} AND Sulfamide, aliphatic attach
[-SO2-N] AND Sulfonyl amide, aliphatic attach [-S(=O)N-] AND Sulfur,
nitrogen attach [-S-] by Organic functional groups (US EPA)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] OR
Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Aliphatic
Nitrogen, one aromatic attach [-N] OR Aliphatic Oxygen, two aromatic
attach [-O-] OR Aromatic Carbon [C] OR Miscellaneous sulfide (=S) or
oxide (=O) OR Olefinic carbon [=CH- or =C<] OR Oxygen, two olefinic
attach [-O-] OR Suflur {v+4} or {v+6} OR Sulfamide, aliphatic attach
[-SO2-N] OR Sulfonyl amide, aliphatic attach [-S(=O)N-] OR Sulfur,
nitrogen attach [-S-] by Organic functional groups (US EPA) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Aromatic compound OR Diarylether
OR Ether OR Sulfonic acid derivative by Organic functional groups,
Norbert Haider (checkmol) ONLY
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"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Alkali Earth OR Halogens OR
Metalloids OR Transition Metals by Groups of elements
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Aromatic compound AND
Diarylether AND Ether AND Sulfonic acid derivative by Organic functional
groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Inclusion rules not met by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Ketones by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.957
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.77
Description of key information
Short term toxicity to aquatic invertebrates
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted forN-(2-phenoxyphenyl)methanesulphonamide(CAS: 51765-51-6). EC50 value was estimated to be 21.34 mg/l for Daphnia magna for 48 hrs duration.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 21.34 mg/L
Additional information
Short term toxicity to aquatic invertebrates for N-(2-phenoxyphenyl) methanesulphonamide(CAS: 51765-51-6) was summarised with two predicted data for target and two experimental studies of two read across substances:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted forN-(2-phenoxyphenyl)methanesulphonamide(CAS: 51765-51-6). EC50 value was estimated to be 21.34 mg/l for Daphnia magna for 48 hrs duration.
Another prediction based on the QSAR using the EPI Suite ECOSAR version 1.10, the 48 hours EC50 was estimated to be 55.191 mg/l on Daphnia Magna for substance N-(2-phenoxyphenyl) methanesulphonamide with immobilization effects. Thus based on this value it can be concluded that the substance can be classified as aquatic chronic 3 as per the criteria of CLP regulation.
Study was performed in read across Ametryn (834-12-8) by Z. Clementeet al. (Journal of Nanoscience and Nanotechnology Vol. 13, 1–7, 2013) for 48 hrs on the concentration range from 30.71–49.66 mg/l. The test solutions were prepared using dechlorinated water (pH 7.5, conductivity 106µS/cm, and hardness 50 ppm of CaCO3) that had been previously aerated for at least 24 h. Test was conducted at 20±2ᵒC, under constant illumination, and daphnia were not fed during the test. Mobility was counted after 24 and 48 h of exposure. The results were analyzed using the StatGraphics Centurion IV program. On the basis of observation the EC 50 value for 48 hrs of Ametryn (834-12-8) for short term toxicity to aquatic invertebrates was determined to be 38.86 mg/l.
Study on another read across desmetryn (1014-69-3) from ecotox database, 2017 was performed in Daphnia magna for 24 hrs at concentration range from 90.5-125 mg/l. The test was performed in static fresh water system using < 24 hrs daphnia magna. After 24 hrs, the EC 50 value for desmetryn (1014-69-3) was determined to be 26 mg/l. Based on the value, the chemical was considered to be toxic to aquatic invertebrates and can be considered to be classified in chronic category 3 as per the CLP regulations.
Based on the above predicted data and studies of read across chemicals it can be considered that all the above studies supported the target classification. Based on the results it was considered that all weight of evidences supported the classifications andN-(2-phenoxyphenyl)methanesulfonamide(CAS: 51765-51-6)was hazardous to aquatic invertebrates andcan be considered to be classified in chronic category 3 as per the CLP regulations.
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