Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 204-857-3 | CAS number: 127-68-4
- 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
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation and using the sense of smell, sodium 3-nitrobenzenesulphonate was determine to be a colourless amorphous organic solid with characteristic odour at 23°C and 955 hPa.
Melting point:
Melting point of sodium 3-nitrobenzenesulphonate is determine to be 350 °C.
Boiling Point:
The boiling point of sodium 3-nitrobenzenesulphonate was estimated to be 577.06 degC.
Density:
The bulk density of sodium 3-nitrobenzenesulphonate by the mass by volume method was determine to be 1.87 g/cm3 at room temperature of 23 degC.
Particle size distribution:
The particle size distribution (granulometry) of sodium 3-nitrobenzenesulphonate by the sieve analysis method was determine to be in the range of 75 micrometer to 600 micrometer. Majority of the particles were determine to be in the size more than 150 (47.00 %) - 75 (19.77%) micrometer in size.
Vapour pressure:
Vapour pressure of sodium 3-nitrobenzenesulphonate was estimated to be 10.3 Pa at 25 degC by means of Modified Grain Method.
Partition coefficient:
Based on the available data from experimental study report,the partition coefficient (log Pow) value of the test chemical was determined to be -1.292 at 23°C and pH of 6.99, respectively. This experimental value indicates that test chemical is hydrophilic in nature.
Water solubility:
The experimental value of the water solubility of sodium 3-nitrobenzenesulphonate was determine to be 4200 mg/L at 23 deg C indicating that it is soluble in water.
Solubility in organic solvents / fat solubility:
Gravimetric method was used to determine the solubility of the substance in organic solvent. The experimental value of solubility ofsodium 3-nitrobenzenesulphonatein methanol at 23 degC was determine to be 2900 mg/L indicating that the substance is soluble in methanol. Using the Soxhlet/Solvent extraction method the solubility of the substance in Petroleum ether is observed to be 1100 mg/L at 23°C. The solubility value ofsodium 3-nitrobenzenesulphonatein methanol at 20 degC is equivalent to a value of 2521.73 mg/L.
Surface tension:
In accordance with Column 2 adaptation statement of REACH Annex VII, information requirement 7.6, this end point was considered for waiver since surface activity was not a desired property of sodium 3-nitrobenzenesulphonate.
Flash point:
In accordance with Section 2 of REACH Annex XI, information requirement section 7.9, this study does not need to be conducted based on the physical state of the molecule. According to ECHA guidance, flash point is only relevant to liquid substance.Scince the substance sodium 3-nitrobenzenesulphonate is solid therefore this study was considered for waiver.
Auto flammability:
Sodium 3-nitrobenzenesulphonate did not catch fire on being exposed to air at room temperature of 23 degC and atmospheric pressure of 955 hPa. This indicates that sodium 3-nitrobenzenesulphonate is not auto-flammable.
Flammability:
From the experimental values of flammability, sodium 3-nitrobenzenesulphonate ignited when the flame of bunsen burner having temperature of 950 deg C was brought in contact with it. Thus it can be concluded that sodium 3-nitrobenzenesulphonate is flammable only at high temperature of about 950 deg C. However since such high temperatures are not found under normal circumstances of transportation and use, sodium 3-nitrobenzenesulphonate was considered non-flammable for chemical safety assessment.
Explosiveness:
According to theoretical considerations based on chemical structure,sodium 3-nitrobenzenesulphonate does not possess explosive properties. The reason for this is there are no chemical groups associated with explosive properties in sodium 3-nitrobenzenesulphonate. Thus, as per column 2 of Annex VII this end point was considered for waiver.
Oxidizing properties:
Sodium 3-nitrobenzenesulphonate was found to have mild oxidising property since 92.9 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of sodium 3-nitrobenzenesulphonate.
Stability in organic solvents and identity of relevant degradation products:
Sodium 3-nitrobenzenesulphonate was found to be stable in organic solvent dichloro methane and no degradation products were formed after 24 hours as evident from the GC-MS chromatogram obtained at 0 hours and that obtained after 24 hours.
pH:
1% by volume solution of sodium 3-nitrobenzenesulphonate was determine to exhibit a pH of 10.86 at 24 degC. Thus 1% by volume solution of sodium 3-nitrobenzenesulphonate is relatively basic in nature
Dissociation constant:
The average experimental pKa value forsodium 3-nitrobenzenesulphonatewas determine to be 0.000000000000000000004315, at 23 deg C indicating that it has dissociation properties.
Viscosity:
This end point was considered for waiver since viscosity is an inherent property of a liquid that offers resistance to its flow and sodium 3-nitrobenzenesulphonate is a solid substance and hence this testing was considered scientifically unjustified for sodium 3-nitrobenzenesulphonate.
Additional information
Appearance:
On the basis of physical observation and using the sense of smell, sodium 3-nitrobenzenesulphonate was determine to be a colourless amorphous organic solid with characteristic odour at 23°C and 955 hPa.
Melting point:
Melting point of sodium 3-nitrobenzenesulphonate is determine to be 350 °C.3
From modelling database melting point of sodium 3-nitrobenzenesulphonate was estimated to be 349.84 deg C by means of Adapted Joback Method.
Boiling Point:
The boiling point of sodium 3-nitrobenzenesulphonate was estimated to be 577.06 degC by means of Adapted Stein and Brown Method.
Density:
The bulk density of sodium 3-nitrobenzenesulphonate by the mass by volume method was determine to be 1.87 g/cm3 at room temperature of 23 degC.
Particle size distribution:
The particle size distribution (granulometry) of sodium 3-nitrobenzenesulphonate by the sieve analysis method was determine to be in the range of 75 micrometer to 600 micrometer. Majority of the particles were determine to be in the size more than 150 (47.00 %) - 75 (19.77%) micrometer in size.
Vapour pressure:
Vapour pressure of sodium 3-nitrobenzenesulphonate was estimated to be 10.3 Pa at 25 degC by means of Modified Grain Method.
Partition coefficient:
Based on the available data in a key study from experimental study report, the partition coefficient (log Pow) value of the test chemical was determined to be -1.292 at 23°C and pH of 6.99, respectively.
In a supportingstudy from handbook, authoritative and modelling databases,the partition coefficient (log Pow) value of the test chemical was determined to be -2.61.
Thus, on the basis of available information, the log Kow value of the test chemical was determined to be ranges from -1.292 to -2.61, respectively. On the basis of this value, test chemical can be considered to be hydrophilic in nature.
Water solubility:
The experimental value of the water solubility of sodium 3-nitrobenzenesulphonate was determine to be 4200 mg/L at 23 deg C indicating that it is soluble in water.
Solubility in organic solvents / fat solubility:
Gravimetric method was used to determine the solubility of the substance in organic solvent. The experimental value of solubility ofsodium 3-nitrobenzenesulphonatein methanol at 23 degC was determine to be 2900 mg/L indicating that the substance is soluble in methanol. Using the Soxhlet/Solvent extraction method the solubility of the substance in Petroleum ether is observed to be 1100 mg/L at 23°C. The solubility value ofsodium 3-nitrobenzenesulphonatein methanol at 20 degC is equivalent to a value of 2521.73 mg/L.
Surface tension:
In accordance with Column 2 adaptation statement of REACH Annex VII, information requirement 7.6, this end point was considered for waiver since surface activity was not a desired property of sodium 3-nitrobenzenesulphonate.
Flash point:
In accordance with Section 2 of REACH Annex XI, information requirement section 7.9, this study does not need to be conducted based on the physical state of the molecule. According to ECHA guidance, flash point is only relevant to liquid substance.Scince the substance sodium 3-nitrobenzenesulphonate is solid therefore this study was considered for waiver.
Auto flammability:
Sodium 3-nitrobenzenesulphonate did not catch fire on being exposed to air at room temperature of 23 degC and atmospheric pressure of 955 hPa. This indicates that sodium 3-nitrobenzenesulphonate is not auto-flammable.
Flammability:
From the experimental values of flammability, sodium 3-nitrobenzenesulphonate ignited when the flame of bunsen burner having temperature of 950 deg C was brought in contact with it. Thus it can be concluded that sodium 3-nitrobenzenesulphonate is flammable only at high temperature of about 950 deg C. However since such high temperatures are not found under normal circumstances of transportation and use, sodium 3-nitrobenzenesulphonate was considered non-flammable for chemical safety assessment.
Explosiveness:
According to theoretical considerations based on chemical structure,sodium 3-nitrobenzenesulphonate does not possess explosive properties. The reason for this is there are no chemical groups associated with explosive properties in sodium 3-nitrobenzenesulphonate. Thus, as per column 2 of Annex VII this end point was considered for waiver.
Oxidizing properties:
Sodium 3-nitrobenzenesulphonate was found to have mild oxidising property since 92.9 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of sodium 3-nitrobenzenesulphonate.
Stability in organic solvents and identity of relevant degradation products:
Sodium 3-nitrobenzenesulphonate was found to be stable in organic solvent dichloro methane and no degradation products were formed after 24 hours as evident from the GC-MS chromatogram obtained at 0 hours and that obtained after 24 hours.
pH:
1% by volume solution of sodium 3-nitrobenzenesulphonate was determine to exhibit a pH of 10.86 at 24 degC. Thus 1% by volume solution of sodium 3-nitrobenzenesulphonate is relatively basic in nature
Dissociation constant:
The average experimental pKa value forsodium 3-nitrobenzenesulphonatewas determine to be 0.000000000000000000004315, at 23 deg C indicating that it has dissociation properties.
Viscosity:
This end point was considered for waiver since viscosity is an inherent property of a liquid that offers resistance to its flow and sodium 3-nitrobenzenesulphonate is a solid substance and hence this testing was considered scientifically unjustified for sodium 3-nitrobenzenesulphonate.
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.