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Physical & Chemical properties

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Description of key information

Appearance:

On the basis of physical observation ,the chemical 3-bromoanisole was observed to be clear pale yellow colored liquid in appearance.

Freezing point:

The Freezing point determination of 3-bromoanisole (CAS No.2398-37-0) was done using crushed ice and salt. No freezing was observed up to -8.59°C. Hence,

the freezing point was inferred to be less than -8.59 °C at 976.8 hPa

Boiling point:

The boiling point determination of 3-bromoanisole (CAS No. 2398-37-0) 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 205°C at 976.4 hPa.

Density:

The density of substance 3-bromoanisole (CAS No. 2398-37-0) was determined following OECD Guideline 109 and to the Indian standard method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)]. The mean density of substance 3-bromoanisole was determined  to be 1.482 g/cm³ at 20°C and 976.4 hPa.

Particle Size Distribution:

The study does not need to be conducted because the test chemical is marketed or used in a non- solid or granular form. 3-bromoanisole  is a clear pale yellow liquid.

Hence, this endpoint was considered for waiver.

Vapor Pressure:

Data from handbooks suggest that the estimated vapor pressure of 1-bromo-3-methoxybenzene at 25 deg C was 38.39Pa.MPBPVP v1.43 was used to estimate the vapor pressure of 1-bromo-3-methoxybenzene .The estimated vapor pressure of 1-bromo-3-methoxybenzene at 25 deg C was 27.7 Pa.

Partition Coefficient:

Data from handbooks and authoritative databases suggest that the experimental logPow of 1-bromo-3-methoxybenzene lies between 3.03 - 3.23.

KOWWIN v1.68 was used to estimate octanol water partition coefficient of 1-bromo-3-methoxybenzene. The estimated logPow of 1-bromo-3-methoxybenzene was 2.96

Water Solubility:

A study was performed to determine the solubility of 1-bromo-3-methoxybenzene in water.

1-bromo-3-methoxybenzene was determined to be practically insoluble in water.

Data from handbooks and authoritative databases suggest that the estimated water solubility of 1-bromo-3-methoxybenzene at 25 deg C lies between 131 - 131.4 mg/l.

Surface tension:

From predicted ACD lab data, the surface tension of 1-bromo-3-methoxybenzene (2398-37-0) was predicted to be 34.6 ± 3.0 dyne/cm.

Flash point:

The flash point determination of 1-bromo-3-methoxybenzene (CAS No. 2398-37-0) was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was determined to be 95.3°C at 976.3hPa.

Based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence the 1-bromo-3-methoxybenzene(134-85-0) was considered to be non-flammable.

Autoflammability:

1-bromo-3-methoxybenzene did not catch fire on being exposed to air at room temperature of 27°C and atmospheric pressure of 966 hPa. This indicates that 1-bromo-3-methoxybenzene is not auto-flammable.

Flammability:

1-bromo-3-methoxybenzene 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 1-bromo-3-methoxybenzene is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 1-bromo-3-methoxybenzene 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 oxidising properties and hence, the classification procedure does not need to be applied

pH:

The pH determination of test item 1-bromo-3-methoxybenzene (CAS No 2398-37-0) was done following OECD guideline 122. pH of 1% w/v emulsion was measured with the help of pH meter and it was observed to be 6.98 at 27 °C. Based on the value 1-bromo-3-methoxybenzene (CAS No 2398-37-0) was considered to be neutral in pH.

Viscosity:

The viscosity determination of Test item 3-bromoanisole (CAS No. 2398-37-0) was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Kinematic viscosity (experimental) of Test item at 20°C and 40°C is 10.903 mm²/sec and 17.239 mm²/s, respectively. Dynamic viscosity (calculated) of Test item at 20°C and 40°C is 16.158 mPa.S and 25.548 mPa.S, respectively.

Additional information

Appearance:

On the basis of physical observation ,the chemical 3-bromoanisole was observed to be clear pale yellow colored liquid in appearance.

Other supporting studies from various authoritative database suggests that the chemical 3-bromoanisole was observed to be colouless liquid in appearance having aromatic odour.

Freezing point:

The Freezing point determination of 3-bromoanisole (CAS No.2398-37-0) was done using crushed ice and salt. No freezing was observed up to -8.59°C. Hence,

the freezing point was inferred to be less than -8.59 °C at 976.8 hPa

other supporting study from authoritative database suggests that the freezing point of chemical 3-bromoanisole was determined to be 2 degree C

As the data from lab has K1 reliability and the test was performed using standard methods of analysis which has the value of freezing point as less than -8.59degree C at 976.8 hPa,thus considered as key study for the chemical safety assessment

Boiling point:

The boiling point determination of 3-bromoanisole (CAS No. 2398-37-0) 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 205°C at 976.4 hPa.

Other supporting studies from various reliable sources such as authoritative database and handbook,the boiling point of chemical 3-bromoanisole was determined to be in the range of 210 degree C to 213 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 205 degree C at 976.4 hpa pressure,thus considered as key study for the chemical safety assessment.

Density:

The density of substance 3-bromoanisole (CAS No. 2398-37-0) was determined following OECD Guideline 109 and to the Indian standard method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)]. The mean density of substance 3-bromoanisole was determined  to be 1.482 g/cm³ at 20°C and 976.4 hPa.

Other supporting studies from authoritative database suggests that the density of chemical 3-bromoanisole was determined to be 1.49 g/cm3 at 20 degree C.

Based on prediction done by ACD/Labs ,the density of chemical 3 -bromoanisole was estimated to 1.442±0.06 g/cm3 at 20 degree C.

As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of density as 1.482 g/cm3 at 20 degree C,thus considered as key study for the chemical safety assessment.

Particle Size Distribution:

The study does not need to be conducted because the test chemical is marketed or used in a non- solid or granular form. 3-bromoanisole  is a clear pale yellow liquid.

Hence, this endpoint was considered for waiver.

Vapor Pressure:

Data from handbooks suggest that the estimated vapor pressure of 1-bromo-3-methoxybenzene at 25 deg C was 38.39Pa.MPBPVP v1.43 was used to estimate the vapor pressure of 1-bromo-3-methoxybenzene .The estimated vapor pressure of 1-bromo-3-methoxybenzene at 25 deg C was 27.7 Pa.

Partition Coefficient:

Data from handbooks and authoritative databases suggest that the experimental logPow of 1-bromo-3-methoxybenzene lies between 3.03 - 3.23.

KOWWIN v1.68 was used to estimate octanol water partition coefficient of 1-bromo-3-methoxybenzene. The estimated logPow of 1-bromo-3-methoxybenzene was 2.96

Water Solubility:

A study was performed to determine the solubility of 1-bromo-3-methoxybenzene in water.

1-bromo-3-methoxybenzene was determined to be practically insoluble in water.

Data from handbooks and authoritative databases suggest that the estimated water solubility of 1-bromo-3-methoxybenzene at 25 deg C lies between 131 - 131.4 mg/l.

Surface tension:

From predicted ACD lab data, the surface tension of 1-bromo-3-methoxybenzene (2398-37-0) was predicted to be 34.6 ± 3.0 dyne/cm.

Flash point:

The flash point determination of 1-bromo-3-methoxybenzene (CAS No. 2398-37-0) was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was determined to be 95.3°C at 976.3hPa.

Based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence the 1-bromo-3-methoxybenzene(134-85-0) was considered to be non-flammable.

Autoflammability:

1-bromo-3-methoxybenzene did not catch fire on being exposed to air at room temperature of 27°C and atmospheric pressure of 966 hPa. This indicates that 1-bromo-3-methoxybenzene is not auto-flammable.

Flammability:

1-bromo-3-methoxybenzene 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 1-bromo-3-methoxybenzene is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 1-bromo-3-methoxybenzene 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 oxidising properties and hence, the classification procedure does not need to be applied

pH:

The pH determination of test item 1-bromo-3-methoxybenzene (CAS No 2398-37-0) was done following OECD guideline 122. pH of 1% w/v emulsion was measured with the help of pH meter and it was observed to be 6.98 at 27 °C. Based on the value 1-bromo-3-methoxybenzene (CAS No 2398-37-0) was considered to be neutral in pH. From the available Gestis database, the pH of 1-bromo-3-methoxybenzene (2398-37-0) was determined to be 5.5.

 

So, from the available data of pH from reliable laboratory and authoritative database, as the data from laboratory has K1 reliability which has the value as6.98 at 27 °C. Thus, laboratory study was considered as key study for the chemical safety assessment.Based on the value 1-bromo-3-methoxybenzene (CAS No 2398-37-0) was considered to be neutral in nature.

Viscosity:

The viscosity determination of Test item 3-bromoanisole (CAS No. 2398-37-0) was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Kinematic viscosity (experimental) of Test item at 20°C and 40°C is 10.903 mm²/sec and 17.239 mm²/s, respectively. Dynamic viscosity (calculated) of Test item at 20°C and 40°C is 16.158 mPa.S and 25.548 mPa.S, respectively.