Registration Dossier
Registration Dossier
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EC number: 268-387-0 | CAS number: 68083-38-5
Endpoint summary
Administrative data
Description of key information
Appearance / physical state / colour:
The appearance of 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid was observed to be a solid organic compound.
Melting point/ Freezing point:
Based on prediction done using MPBPVP v1.43, the melting point of chemical 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1 -sulfonic acid was estimated to be 186.30 ˚C.
Boiling point:
Based on prediction done using MPBPVP v1.43, the Boiling point of chemical 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1 -sulfonic acid was estimated to be 443.69 ˚C.
Density:
The density of chemical 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid was estimated to be 1.52 ± 0.1 g/cm3
Particle size distribution (Granulometry):
The particle size distribution of 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 147 micron to 52 micron.
Vapour pressure:
The estimated vapour pressure of the test substance 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid at 25 deg C was 2.58E-008 Pa.
Partition coefficient:
The octanol water partition coefficent of target chemical m-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid (CAS no. 68083 -35 -8) was determined to be -1.95. On the basis of log Pow value the test chemical m-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid was considered to be hydrophilic in nature which is also supported by the high water solubility of the this chemical.
Water solubility:
The estimated water solubility of test substance 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid at 25 deg C was 10520 mg/l.
Surface tension:
Based on the prediction done by ACD labs, the surface tension for chemical 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl) benzene-1 -sulfonic acid was predicted to be 65.5 ± 7.0 dyne/cm.
Flash point:
Based on the Calculation done using scientifically verified and validated formulas / equations, the flash point of chemical 3-(5-imino-3 -methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid was estimated to be 249.79 degree C.
Autoflammability:
3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid is not auto-flammable.
Flammability:
3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid does not indicate any ignition when the flame of bunsen burner having temperature of approximately 950°C is brought in contact with it. Thus it can be concluded that 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl) benzene-1-sulfonic acid was considered non-flammable for chemical safety assessment.
Explosiveness:
The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with explosive properties.
Oxidising properties:
The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with oxidizing properties and hence the classification procedure does not need to be applied.
Additional information
Appearance / physical state / colour:
Based on available data from obtained report, the appearance of 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid was observed to be a solid organic compound.
Melting point/ Freezing point:
Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of chemical 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid was predicted.
The melting point of chemical 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid was estimated to be 186.30 ˚C
Boiling point:
Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of chemical 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid was predicted.
The boiling point of chemical 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid was estimated to be 443.69 ˚C.
Density:
Based on prediction done using ACD/I-Lab 2.0 and Scifinder, the density of chemical 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid was estimated to be 1.52 ± 0.1 g/cm3.
Particle size distribution (Granulometry):
The particle size distribution of 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 147 micron to 52 micron.
Vapour pressure:
Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the test substance 3 -(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of the test substance 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid at 25 deg C was 2.58E-008 Pa.
Partition coefficient:
The octanol water partition coefficent of target chemical m-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid (CAS no. 68083 -35 -8) was determined to be -1.95. On the basis of log Pow value the test chemical m-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid was considered to be hydrophilic in nature which is also supported by the high water solubility of the this chemical.
Water solubility:
WSKOW v1.42 was used to estimate the water solubility of the test substance 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl) benzene-1-sulfonic acid.
The estimated water solubility of the test substance 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid at 25 deg C was 10520 mg/l.
Based on the estimated value, the test substance 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid was considered to be very soluble in water.
Surface tension:
Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid was predicted to be 65.5 ± 7.0 dyne/cm.
Flash point:
Based on the calculation done using scientifically verified and validated formulas / equations, the flash point of chemical 3-(5-imino-3 -methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid was estimated to be 249.79 degree C. Thus, according to flash point value the chemical 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid was not classified as flammable.
Autoflammability:
3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid is not auto-flammable.
Flammability:
3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid does not indicate any ignition when the flame of bunsen burner having temperature of approximately 950°C is brought in contact with it. Thus it can be concluded that 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 3-(5-imino-3-methyl-4,5-dihydro-1H-pyrazol-1-yl) benzene-1-sulfonic acid was considered non-flammable for chemical safety assessment.
Explosiveness:
The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with explosive properties.
Oxidising properties:
The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with oxidizing properties and hence the classification procedure does not need to be applied.
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