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EC number: 204-504-3 | CAS number: 121-89-1
Endpoint summary
Administrative data
Description of key information
Appearance:
In an experiment conducted by SSS(Europe)AB,on the basis of physical observation the chemical 3-nitroacetophenone was observed to be Yellow colored powder in appearance.
Melting point:
The melting point determination of 3'-nitroacetophenone (CAS No. 121-89-1) was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and mean melting temperature range was determined to be in the range of 74.6 °C - 79.3°C at 977.1hPa.
Boiling point:
The boiling point determination of 3'-nitroacetophenone (CAS No. 121-89-1) was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was determined to be 148.3°C at 976.5 hPa.
Density:
The density of substance 3'-nitroacetophenone (CAS No. 121-89-1)was determined following OECD Guideline 109 and according to the method adapted from ASTM D854-02 using glass pyknometer. The mean density of the 3'-nitroacetophenone was determined to be 1.252 g/cm³ at 20 °C and 977.1 hPa.
Particle Size Distribution:
The particle size distribution of test test item 3'-nitroacetophenone (CAS No. 121-89-1 ) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 75 micron.
Vapour Pressure:
Data from handbooks and authoritative databases suggests that the estimated vapour pressure of 3 nitroacetophenone at 25 deg C was0.3199Pa.
Vapour Pressure of 3-nitroacetophenone was estimated using MPBPVP v1.43. The estimated vapour pressure of 3 nitroacetophenone at 25°C was 11.7 Pa.
Partition Coefficient:
Data from handbooks, authoritative and modelling databases suggests that the experimental LogPow of 3 nitroacetophenone was 1.42.
Partition Coefficient of 3-nitroacetophenone was estimated using KOWWIN v1.68.
The estimated LogPow of 3 nitroacetophenone was 1.49.
The experimental and estimated values indicate that 3 nitroacetophenone is hydrophillic in nature which is also supported by its solubility in water.
Water Solubility:
The water solubility determination of test item 3'-nitroacetophenone (CAS No. 121-89-1) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of (3'-nitroacetophenone of 121-89-1 )in water wasdetermined to be 862.68 mg/L at 30°C.
Data from authoritative databases and handbooks suggests that the estimated water solubiltiy fo 3 nitroacetophenone at 25 deg C was 750 mg/l.
WSKOW v1.42 was used to estimate the water solubility of 3 nitroacetophenone. The estimated water solubility of 3 nitroacetophenone at 25 deg C was 1618 mg/l..
These values indicate that 3 nitroacetophenone is soluble in water.
Surface tension: In accordance with column 2 of Annex VII of the REACH regulation, the study need only be conducted if surface activity is a desired property of the chemical. The chemical 3'-nitroacetophenone is used as raw material and intermediate in organic synthesis. For this use, surface activity is not a desired property. Hence this study was considered for waiver.
Autoflammability: The study does not need to be conducted because the3'-nitroacetophenone(CAS No. 121 -89 -1) is solid having melting point 74.6 -79.3 degree C which was less than 160 degree C. Therefore this end point considered for waiver.
Flammability: The study does not need to be conducted because the substance is a solid, as the 3'-nitroacetophenone has flash point 191.6 degree C which is very high. As per the CLP regulation the chemical which has flash point >than 60 degree C was considered to be non-flammable. Based on this 3'-nitroacetophenone was considered to be non-flammable.
Flash point: The flash point determination of 3'-nitroacetophenone (CAS No. 121-89-1)was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was found to be 191.6°C at 976.5hPa. Based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence the 3'-nitroacetophenone (CAS No. 121-89-1) was considered to be non-flammable.
Explosiveness In accordance with column 2 of Annex VII of the REACH regulation, the study does not need to be conducted since there are no chemical groups associated with explosive properties present in the molecule of 3'-nitroacetophenone, except the nitroso group. Thus, this end point was considered for waiver and the chemical is considered to be "Non explosive".
Oxidising properties: In accordance with column 2 of Annex VII of the REACH regulation, the substance 3'-nitroacetophenone is incapable of reacting exothermically with combustible materials. Thus, this end point was considered for waiver and the chemcial is likely to be "Non-oxidising".
pH: The pH determination of test item 3'-nitroacetophenone (CAS No 121-89-1) was done following OECD guideline 122. pH of 1% w/v dispersion was measured with the help of pH meter and it was observed to be 3.81at 29.1 °C. Based on the value, 3'-nitroacetophenone (CAS No 121-89-1) was considered to be acidic in nature.
Viscosity The study does not need to be conducted because the substance is a solid
Additional information
Appearance:
In an experiment conducted by SSS(Europe)AB,on the basis of physical observation the chemical 3-nitroacetophenone was observed to be Yellow colored powder in appearance.
Other supporting studues from reliable sources such as authoritative database and handbook also suggests that the chemical 3-nitroacetophenone was in solid needles form ethanol or light beige colored powder in appearance.
Melting point:
The melting point determination of 3'-nitroacetophenone (CAS No. 121-89-1) was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and mean melting temperature range was determined to be in the range of 74.6 °C - 79.3°C at 977.1hPa.
other supporting studies from reliable sources such as authoritative database and handbook suggests that the melting point of chemical 3-nitroacetophenone was determined to be in the range of 80 degree C to 81 degree C.
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of melting point temperature as74.6 °C - 79.3°C at 977.1hPa.
thus considered as key study for the chemical safety assessment.
Boiling point:
The boiling point determination of 3'-nitroacetophenone (CAS No. 121-89-1) was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was determined to be 148.3°C at 976.5 hPa.
Other supporting studies from reliable sources such as authoritative database and handbook indicates that the boiling point of chemical 3-nitroacetophenone was determined to be 202 degree C.
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of boiling point temperature as 148.3 degree C thus considered as key study for the chemical safety assessment.
Density:
The density of substance 3'-nitroacetophenone (CAS No. 121-89-1)was determined following OECD Guideline 109 and according to the method adapted from ASTM D854-02 using glass pyknometer. The mean density of the 3'-nitroacetophenone was determined to be 1.252 g/cm³ at 20 °C and 977.1 hPa.
Particle Size Distribution:
The particle size distribution of test test item 3'-nitroacetophenone (CAS No. 121-89-1 ) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 75 micron.
Partition Coefficient:
Data from handbooks, authoritative and modelling databases suggests that the experimental LogPow of 3 nitroacetophenone was 1.42.
Partition Coefficient of 3-nitroacetophenone was estimated using KOWWIN v1.68.
The estimated LogPow of 3 nitroacetophenone was 1.49.
The experimental and estimated values indicate that 3 nitroacetophenone is hydrophillic in nature which is also supported by its solubility in water.
Water Solubility:
The water solubility determination of test item 3'-nitroacetophenone (CAS No. 121-89-1) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of (3'-nitroacetophenone of 121-89-1 )in water wasdetermined to be 862.68 mg/L at 30°C.
Data from authoritative databases and handbooks suggests that the estimated water solubiltiy fo 3 nitroacetophenone at 25 deg C was 750 mg/l.
WSKOW v1.42 was used to estimate the water solubility of 3 nitroacetophenone. The estimated water solubility of 3 nitroacetophenone at 25 deg C was 1618 mg/l..
These values indicate that 3 nitroacetophenone is soluble in water.
Surface tension:
In accordance with column 2 of Annex VII of the REACH regulation, the study need only be conducted if surface activity is a desired property of the chemical. The chemical 3'-nitroacetophenone is used as raw material and intermediate in organic synthesis. For this use, surface activity is not a desired property. Hence this study was considered for waiver.
Autoflammability:
The study does not need to be conducted because the3'-nitroacetophenone(CAS No. 121 -89 -1) is solid having melting point 74.6 -79.3 degree C which was less than 160 degree C. Therefore this end point considered for waiver.
Flammability:
The study does not need to be conducted because the substance is a solid, as the 3'-nitroacetophenone has flash point 191.6 degree C which is very high. As per the CLP regulation the chemical which has flash point >than 60 degree C was considered to be non-flammable. Based on this 3'-nitroacetophenone was considered to be non-flammable.
Flash point:
The flash point determination of 3'-nitroacetophenone (CAS No. 121-89-1)was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was found to be 191.6°C at 976.5hPa.
Based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence the
3'-nitroacetophenone (CAS No. 121-89-1) was considered to be non-flammable.
Explosiveness
In accordance with column 2 of Annex VII of the REACH regulation, the study does not need to be conducted since there are no chemical groups associated with explosive properties present in the molecule of 3'-nitroacetophenone, except the nitroso group. Thus, this end point was considered for waiver and the chemical is considered to be "Non explosive".
Oxidising properties:
In accordance with column 2 of Annex VII of the REACH regulation, the substance 3'-nitroacetophenone is incapable of reacting exothermically with combustible materials. Thus, this end point was considered for waiver and the chemcial is likely to be "Non-oxidising".
pH:
The pH determination of test item 3'-nitroacetophenone (CAS No 121-89-1) was done following OECD guideline 122. pH of 1% w/v dispersion was measured with the help of pH meter and it was observed to be 3.81at 29.1 °C. Based on the value, 3'-nitroacetophenone (CAS No 121-89-1) was considered to be acidic in nature.
Viscosity
The study does not need to be conducted because the substance is a solid
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