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EC number: 201-830-8 | CAS number: 88-43-7
- 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
Endpoint summary
Administrative data
Description of key information
The skin sensitization potential of 5-amino-2-chlorobenzenesulfonic acid (CAS No: 88-43-7) was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor. The substance 5-amino-2-chlorobenzenesulfonic acid (CAS No: 88-43-7) induce strong skin sanitization on guinea pig skin and hence is considered to be sensitizing to the skin.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- Remarks:
- in vivo
- 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 version 3.3 and QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Type of study:
- other: GPMT
- Specific details on test material used for the study:
- - Name of test material: 5-amino-2-chlorobenzenesulfonic acid
- Molecular formula: C6H6ClNO3S
- Molecular weight: 207.636 g/mol
- Smiles notation: S(c1c(ccc(c1)N)Cl)(O)(=O)=O
- InChl: 1S/C6H6ClNO3S/c7-5-2-1-4(8)3-6(5)12(9,10)11/h1-3H,8H2,(H,9,10,11)
- Substance type: Organic
- Physical state: Solid - Species:
- guinea pig
- Strain:
- not specified
- Sex:
- not specified
- Route:
- other: No data available
- Adequacy of induction:
- not specified
- Route:
- other: No data available
- No. of animals per dose:
- No data available
- Reading:
- 1st reading
- Group:
- test chemical
- Clinical observations:
- skin senitizing effcts were observed.
- Remarks on result:
- positive indication of skin sensitisation
- Interpretation of results:
- other: skin sensitizer
- Conclusions:
- The skin sensitization potential of 5-amino-2-chlorobenzenesulfonic acid (CAS No: 88-43-7) was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor. The substance 5-amino-2-chlorobenzenesulfonic acid (CAS No: 88-43-7) induce strong skin sanitization on guinea pig skin and hence is considered to be sensitizing to the skin.
- Executive summary:
The skin sensitization potential of 5-amino-2-chlorobenzenesulfonic acid (CAS No: 88-43-7) was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor. The substance 5-amino-2-chlorobenzenesulfonic acid (CAS No: 88-43-7) induce strong skin sanitization on guinea pig skin and hence is considered to be sensitizing to the skin.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "S M W N"
Estimation method: Takes highest mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and "g" )
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and ("l"
and "m" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Anilines (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Radical AND Radical >> Radical
mechanism via ROS formation (indirect) AND Radical >> Radical mechanism
via ROS formation (indirect) >> Single-Ring Substituted Primary Aromatic
Amines AND SN1 AND SN1 >> Nucleophilic attack after nitrenium ion
formation AND SN1 >> Nucleophilic attack after nitrenium ion formation
>> Single-Ring Substituted Primary Aromatic Amines by DNA binding by
OASIS v.1.4
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Strong binder, NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition to quinoid structures OR AN2 >> Michael-type addition to
quinoid structures >> Substituted Anilines by Protein binding by OASIS
v1.4 ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Radical AND Radical >> Radical
mechanism via ROS formation (indirect) AND Radical >> Radical mechanism
via ROS formation (indirect) >> Single-Ring Substituted Primary Aromatic
Amines AND SN1 AND SN1 >> Nucleophilic attack after nitrenium ion
formation AND SN1 >> Nucleophilic attack after nitrenium ion formation
>> Single-Ring Substituted Primary Aromatic Amines by DNA binding by
OASIS v.1.4
Domain
logical expression index: "f"
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 No alert found OR
Non-covalent interaction OR Non-covalent interaction >> DNA
intercalation OR Non-covalent interaction >> DNA intercalation >> Amino
Anthraquinones OR Non-covalent interaction >> DNA intercalation >>
Quinones and Trihydroxybenzenes OR Radical >> Radical mechanism via ROS
formation (indirect) >> Amino Anthraquinones OR Radical >> Radical
mechanism via ROS formation (indirect) >> Nitro Azoarenes OR Radical >>
Radical mechanism via ROS formation (indirect) >> Nitroaniline
Derivatives OR Radical >> Radical mechanism via ROS formation (indirect)
>> Polynitroarenes OR Radical >> Radical mechanism via ROS formation
(indirect) >> Quinones and Trihydroxybenzenes 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 reduction and nitrenium ion
formation OR SN1 >> Nucleophilic attack after reduction and nitrenium
ion formation >> Nitro Azoarenes OR SN1 >> Nucleophilic attack after
reduction and nitrenium ion formation >> Nitroaniline Derivatives OR SN1
>> Nucleophilic attack after reduction and nitrenium ion formation >>
Polynitroarenes by DNA binding by OASIS v.1.4
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as AN2 AND AN2 >> Michael-type
addition to quinoid structures AND AN2 >> Michael-type addition to
quinoid structures >> Substituted Anilines by Protein binding by OASIS
v1.4 ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Aromatic amines AND Sulfonic
acids or their salts by Skin irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Phenols by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Aliphatic Nitrogen, one aromatic
attach [-N] AND Aromatic Carbon [C] AND Chlorine, aromatic attach [-Cl]
AND Chlorine, olefinic attach [-Cl] AND Hydroxy, sulfur attach [-OH] AND
Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon [=CH- or
=C<] AND Suflur {v+4} or {v+6} AND Sulfinic acid [-S(=O)OH] AND
Sulfonate, aromatic attach [-SO2-O] by Organic functional groups (US EPA)
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Acid, aromatic attach [-COOH] OR
Alcohol, olefinic attach [-OH] OR Aliphatic Carbon [CH] OR Aliphatic
Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Amino, aliphatic attach
[-N<] OR Carbonyl, olefinic attach [-C(=O)-] OR Carbonyl, one aromatic
attach [-C(=O)-] by Organic functional groups (US EPA)
Domain
logical expression index: "l"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -2.08
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 0.252
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (sensitising)
- Additional information:
Skin sensitization:
Various studieshas been investigated for the test chemical5-amino-2-chlorobenzenesulfonic acid (CAS No: 88-43-7)to observe the potential for skin sensitization to a greater or lesser extent. The studies are based on in vivo experiments inguinea pigsfor target chemical5-amino-2-chlorobenzenesulfonic acid (CAS No: 88-43-7) and its structurally similar read across substancesSulfanilic acid (CAS No: 121573) (inmouse) and 4-Nitro-4’-aminodiphenylamine-2-sulfonic acid (CAS No: 91-29-2) .The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;
The skin sensitization potential of 5-amino-2-chlorobenzenesulfonic acid (CAS No: 88-43-7) was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor. The substance 5-amino-2-chlorobenzenesulfonic acid (CAS No: 88-43-7) induce strong skin sanitization on guinea pig skin and hence is considered to be sensitizing to the skin.
The above result was supported by experimental studies reported by IFA GESTIS onstructurally similar read across substancesSulfanilic acid (CAS No: 121573) in guinea pigs and mouse which have been summarized as follows;
In the by guinea pig maximization test for chemical Sulfanilic acid (CAS No: 121573), known skin effects were observed. Hence Sulfanilic acid (CAS No: 121573) was considered to be sensitizing to guinea pigs.
In next skin sensitization test was carried out in mouse by mouse ear swelling test for chemical Sulfanilic acid (CAS No: 121573). Since the chemical induce potents skin effects were observed the chemical Sulfanilic acid (CAS No: 121573) can be considered as sensitizing to mouse.
The above results were further supported by The Magnusson and Kligman guinea pig maximization test conducted by BG Chemie (2000) was conducted for another chemical 4-Nitro-4’-aminodiphenylamine-2-sulfonic acid (CAS No: 91-29-2) in accordance with OECD guideline No. 406. Based upon the preliminary investigations, sensitization test was performed. In this test 20 female Dunkin-Hartley guinea pigs (average initial weight: 385 g) were exposed to the test chemical 4-nitro-4’-aminodiphenylamine- 2-sulfonic acid (60.6% test compound; 3.4% dicondensation pro-duct, 0.8% p-diaminobenzene, 0.3% chloronitrous acid, 33.2% water) . 20 control animals were also used. The guinea pigs were induced intradermally and topically with 2.5% aqueous solution of test chemical which was followed by challenge treatment. During challenge animals were treated with the 25 % and 12% aqueous solution of test chemical and later observed for skin reactions. It was observed that all of the 20 guinea pigs that underwent induction showed positive reactions to both the 25 % and 12% aqueous solution, while the 20 controls did not exhibit skin reactions. Hence the test chemical 4-Nitro-4’-aminodiphenylamine-2-sulfonic acid (CAS No: 91-29-2) was considered to be sensitizing on female Dunkin-Hartley guinea pigs.
Based on the available data for the targetchemical5-amino-2-chlorobenzenesulfonic acid (CAS No: 88-43-7) and its structurally similar read across substancesSulfanilic acid (CAS No: 121573) and 4-nitro-4’-aminodiphenylamine-2-sulfonic acid (CAS No: 91-29-2),it can be concluded thatchemical5-amino-2-chlorobenzenesulfonic acid (CAS No: 88-43-7) is able to cause skin sensitization and thus can be considered as sensitizing .
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
The skin sensitization potential of test substance 5-amino-2-chlorobenzenesulfonic acid (CAS No: 88-43-7) and its structurally similar read across substancesSulfanilic acid (CAS No: 121573) and4-nitro-4’-aminodiphenylamine-2-sulfonic acid (CAS No: 91-29-2) were observed in various studies. From the results obtained from these studies it is concluded that the chemical 5-amino-2-chlorobenzenesulfonic acid (CAS No: 88-43-7) is able to cause skin sensitization and hence can be classified as skin sensitizer.
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