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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
Endpoint summary
Administrative data
Description of key information
Skin Irritation:
The dermal irritation potential of N-(2-phenoxyphenyl)methanesulfonamide was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor.
N-(2-phenoxyphenyl)methanesulfonamide was estimated to be not irritating to the skin of New Zealand White rabbits.
Based on the estimated result, N-(2-phenoxyphenyl)methanesulfonamide can be considered to be not irritating to skin and can be classified under the category "Not Classified" as per CLP regulation.
Eye Irritation:
The ocular irritation potential of N-(2-phenoxyphenyl)methanesulfonamide was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor.
N-(2-phenoxyphenyl)methanesulfonamide was estimated to be not irritating to the eyes of New Zealand White rabbits.
Based on the estimated result, N-(2-phenoxyphenyl)methanesulfonamide can be considered to be not irritating to eye and can be classified under the category "Not Classified" as per CLP regulation.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation / corrosion
- 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 from OECD QSAR toolbox v3.3 and the QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toolbox v3.3
- 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)methanesulphonamide
- Molecular formula : C13H13NO3S
- Molecular weight : 263.316 g/mol
- Smiles notation: S(Nc1c(Oc2ccccc2)cccc1)(=O)(=O)C
- InChl : 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 - Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or test system and environmental conditions:
- no data available
- Type of coverage:
- occlusive
- Preparation of test site:
- shaved
- Vehicle:
- unchanged (no vehicle)
- Controls:
- not specified
- Amount / concentration applied:
- 0.5 ml
- Duration of treatment / exposure:
- 4 hours
- Observation period:
- 7 days
- Number of animals:
- 3
- Details on study design:
- no data available
- Other effects / acceptance of results:
- no data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 7 d
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- No irritation was observed
- Interpretation of results:
- other: not irritating
- Conclusions:
- N-(2-phenoxyphenyl)methanesulfonamide was estimated to be not irritating to the skin of New Zealand White rabbits.
- Executive summary:
The dermal irritation potential of N-(2-phenoxyphenyl)methanesulfonamide was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor.
N-(2-phenoxyphenyl)methanesulfonamide was estimated to be not irritating to the skin of New Zealand White rabbits.
Based on the estimated result, N-(2-phenoxyphenyl)methanesulfonamide can be considered to be not irritating to skin and can be classified under the category "Not Classified" as per CLP regulation.
Reference
Estimation
method: Takes mode 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(not
"h")) ) and("i"
and(not
"j")) ) and("k"
and(not
"l")) ) and("m"
and(not
"n")) ) and("o"
and(not
"p")) ) and
"q") and("r"
and(not
"s")) ) and("t"
and "u") )
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 No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "h"
Referential
boundary:The
target chemical should be classified as AN2 OR AN2 >> Nucleophilic
addition to alpha, beta-unsaturated carbonyl compounds OR AN2 >>
Nucleophilic addition to alpha, beta-unsaturated carbonyl compounds >>
alpha, beta-Unsaturated Aldehydes OR AN2 >> Schiff base formation OR AN2
>> Schiff base formation >> alpha, beta-Unsaturated Aldehydes OR Michael
addition OR Michael addition >> Quinone type compounds OR Michael
addition >> Quinone type compounds >> Quinone methides OR Radical OR
Radical >> Radical mechanism via ROS formation (indirect) OR Radical >>
Radical mechanism via ROS formation (indirect) >> Single-Ring
Substituted Primary Aromatic Amines OR Radical >> ROS formation after
GSH depletion OR Radical >> ROS formation after GSH depletion >> Quinone
methides OR SN1 OR SN1 >> Alkylation after metabolically formed
carbenium ion species OR SN1 >> Alkylation after metabolically formed
carbenium ion species >> Polycyclic Aromatic Hydrocarbon Derivatives OR
SN1 >> Nucleophilic attack after metabolic nitrenium ion formation OR
SN1 >> Nucleophilic attack after metabolic nitrenium ion formation >>
Single-Ring Substituted Primary Aromatic Amines OR SN2 OR SN2 >>
Alkylation, direct acting epoxides and related OR SN2 >> Alkylation,
direct acting epoxides and related >> Epoxides and Aziridines OR SN2 >>
Alkylation, direct acting epoxides and related after P450-mediated
metabolic activation OR SN2 >> Alkylation, direct acting epoxides and
related after P450-mediated metabolic activation >> Polycyclic Aromatic
Hydrocarbon Derivatives OR SN2 >> Direct acting epoxides formed after
metabolic activation OR SN2 >> Direct acting epoxides formed after
metabolic activation >> Quinoline Derivatives OR SN2 >> SN2 at an
activated carbon atom OR SN2 >> SN2 at an activated carbon atom >>
Quinoline Derivatives by DNA binding by OASIS v.1.3
Domain
logical expression index: "i"
Referential
boundary:The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "j"
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 Michael addition >> P450
Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic
(PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition OR
SN1 OR SN1 >> Nitrenium Ion formation OR SN1 >> Nitrenium Ion formation
>> Primary aromatic amine by DNA binding by OECD
Domain
logical expression index: "k"
Referential
boundary:The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "l"
Referential
boundary:The
target chemical should be classified as Non binder, impaired OH or NH2
group OR Non binder, MW>500 OR Non binder, non cyclic structure by
Estrogen Receptor Binding
Domain
logical expression index: "m"
Referential
boundary:The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "n"
Referential
boundary:The
target chemical should be classified as Michael addition OR Michael
addition >> Polarised Alkenes OR Michael addition >> Polarised Alkenes
>> Polarised alkene - ketones OR Michael addition >> Polarised Alkenes
>> Polarised alkene - pyridines by Protein binding by OECD
Domain
logical expression index: "o"
Referential
boundary:The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CNS Surface Tension > 62
mN/m AND Group CNS Melting Point > 120 C AND Group CNS Melting Point >
50 C by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "p"
Referential
boundary:The
target chemical should be classified as (!Undefined)Group C Surface
Tension > 62 mN/m OR (!Undefined)Group CN Lipid Solubility < 0.4 g/kg OR
Group All log Kow > 9 OR Group All Melting Point > 200 C OR Group C
Aqueous Solubility < 0.0001 g/L OR Group C Melting Point > 55 C OR Group
C Vapour Pressure < 0.0001 Pa OR Group CN Aqueous Solubility < 0.1 g/L
OR Group CN log Kow > 4.5 by Skin irritation/corrosion Exclusion rules
by BfR
Domain
logical expression index: "q"
Referential
boundary:The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "r"
Referential
boundary:The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "s"
Referential
boundary:The
target chemical should be classified as Tamoxifen (Hepatotoxicity) Alert
OR Thiocarbamates/Sulfides (Hepatotoxicity) No rank by Repeated dose
(HESS)
Domain
logical expression index: "t"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.547
Domain
logical expression index: "u"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.02
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation
- 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 from OECD QSAR toolbox v3.3 and the QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toolbox v3.3
- 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)methanesulphonamide
- Molecular formula : C13H13NO3S
- Molecular weight : 263.316 g/mol
- Smiles notation: S(Nc1c(Oc2ccccc2)cccc1)(=O)(=O)C
- InChl : 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 - Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or tissues and environmental conditions:
- no data available
- Vehicle:
- unchanged (no vehicle)
- Controls:
- not specified
- Amount / concentration applied:
- 0.1 ml
- Duration of treatment / exposure:
- single exposure
- Observation period (in vivo):
- 24, 48, 72 hours and 4,7 days
- Duration of post- treatment incubation (in vitro):
- no data available
- Number of animals or in vitro replicates:
- 3
- Details on study design:
- no data available
- Other effects / acceptance of results:
- no data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 7 d
- Score:
- 0
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- no irritation observed
- Interpretation of results:
- other: not irritating
- Conclusions:
- N-(2-phenoxyphenyl)methanesulfonamide was estimated to be not irritating to the eyes of New Zealand White rabbits.
- Executive summary:
The ocular irritation potential of N-(2-phenoxyphenyl)methanesulfonamide was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor.
N-(2-phenoxyphenyl)methanesulfonamide was estimated to be not irritating to the eyes of New Zealand White rabbits.
Based on the estimated result, N-(2-phenoxyphenyl)methanesulfonamide can be considered to be not irritating to eye and can be classified under the category "Not Classified" as per CLP regulation.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin Irritation:
In different studies, N-(2-phenoxyphenyl)methanesulfonamide has been investigated for potential for dermal irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits along with predicted data for target chemical and closely related read across substances N-butylbenzenesulphonamide [NBSS] (CAS: 3622-84-2) and Trimethoxyphenyl silane (CAS: 2996-92-1) . The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the skin irritation potential was estimated forN-(2 -phenoxyphenyl)methanesulfonamide. N-(2-phenoxyphenyl)methanesulfonamidewas not irritating to New Zealand White rabbit skin.
This result was supported by the experimental study conducted by Antonella Marrocco et.al (J Toxicol Environ Health A; 2015; 78(17): 1122–1132), for theclosely related read across substance N-butylbenzenesulphonamide [NBSS] (CAS: 3622-84-2). A combined irritancy/local lymph node assay (LLNA) on Female BALB/c mice was performed according to the method described in the Interagency Coordinating Committee on the Validation of Alternative Methods (ICCVAM) Peer Review Panel report. Mice (3 per group) were exposed topically on each ear to 25 μl vehicle (acetone) or 25,50 or 100% NBSS. Dinitrofluorobenzene [DNFB] (0.3%) was used as a positive control. Animals were allowed to rest for 2 d following the last exposure and then euthanized via CO2 inhalation. Mice were observed daily for signs of distress or extreme irritation, for any signs of chemical-induced toxicity (ruffled fur, abnormal posture, isolation in the cage, abnormal exudates from the eyes, nose, or anus), and for local signs of irritation, including ear erythema and swelling. Animals were weighed the day prior to the first exposure and on d 4 prior to euthanasia.
Dermal exposure of female BALB/c mice to the high concentration of NBBS (100%) produced no signs of overt toxicity or visual signs of inflammation at the exposure sites. A numerical increase in ear swelling was observed following exposure to NBBS (8.4, 7.2, and 5.6% for 25, 50, and 100% respectively). DNFB (0.3%), used as a positive control, showed a mean significant rise of 241% ear swelling after exposure.
Hence,N-butylbenzenesulphonamide[NBSS] can be considered not irritating to skin of BALB/c mice.
The above studies are also supported by the experimental study summarized in SIDS Dossier_2996921; OECD HPV Chemicals Programme, SIDS Dossier, approved at SIAM 30 (20-22 April 2010) for the closely related read across substance Trimethoxyphenyl silane (CAS: 2996-92-1). Undiluted trimethoxyphenyl silane wasapplied on ear, intact and abraded skin of the abdomen of one male rabbit. The rabbit was observed for signs of irritation till 14 days. No significant irritation was observed following single application of trimethoxyphenylsilane.
Hence, trimethoxyphenyl silane can be considered not irritating to rabbit skin.
Based on the available data for the target and read across substances and applying the weight of evidence approach, N-(2-phenoxyphenyl)methanesulfonamide can be considered to be not irritating to skin.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Eye Irritation:
In different studies, N-(2-phenoxyphenyl)methanesulfonamide has been investigated for potential for dermal irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits along with predicted data for target chemical and closely related read across substances Trimethoxyphenyl silane [CAS: 2996-92-1] and 6H-dibenzo[c,e][1,2]oxaphosphinine 6-oxide (DOPO) [CAS: 35948-25-5] . The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the ocular irritation potential was estimated forN-(2 -phenoxyphenyl)methanesulfonamide. N-(2-phenoxyphenyl)methanesulfonamidewas not irritating to New Zealand White rabbit eyes.
This result was supported by the experimental studythe experimental study summarized in SIDS Dossier_2996921; OECD HPV Chemicals Programme, SIDS Dossier, approved at SIAM 30 (20-22 April 2010), for the closely related read across substance Trimethoxyphenyl silane (CAS: 2996-92-1).
2 drops of undiluted trimethoxyphenyl silane was instilled into the eyes of one female rabbit. The left eye was washed with tepid water within 30 seconds following instillation. Instillation of undiluted material into the eye of a rabbit produced pain response and very slight irritation. Direct contact with the test material resulted moderate pain and conjunctival response. This effect was transient in nature and subsided in an hour.
Since the effects were reversible after 1 hour, trimethoxyphenyl silane can be considered not irritating to rabbit eyes.
The above studies are also supported by the experimental study summarized in EPA Publication 744-R-15-001; August 2015, for the closely related read across substance 6H-dibenzo[c,e][1,2]oxaphosphinine 6-oxide (DOPO) [CAS: 35948-25-5]. Neat test material (0.1 mL) was instilled in left eye of 3 female albino rabbits. Eyes were monitored for up to 7 days. Moderate signs of eye irritation that cleared in 7 days were observed among the rabbits. Since the effects were reversible by 7 days, 6H-dibenzo[c,e][1,2]oxaphosphinine 6-oxide (DOPO) can be considered not irritating to rabbit eyes.
Based on the available data for the target and read across substances and applying the weight of evidence approach, N-(2-phenoxyphenyl)methanesulfonamide can be considered to be not irritating to eyes.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Justification for classification or non-classification
Available studies for suggest N-(2-phenoxyphenyl)methanesulfonamide that it is not irritating to eyes and skin. Hence,N-(2-phenoxyphenyl)methanesulfonamide can be classified under the category “Not Classified” as per CLP regulation.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.