Benzene-1,3,5-tricarbonyl trichloride

pH

Administrative data

Endpoint:

acidity / alkalinity

Remarks:

(1) pH and/or (2) acidity/alkalinity per OECD TG 122: Determination of pH, Acidity and Alkalinity

Type of information:

experimental study

Adequacy of study:

key study

Study period:

15-03-2022 to 28-04-2022

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2022

Materials and methods

GLP compliance:

yes (incl. QA statement)

Test material

Test material information

Constituent 1

Reference substance name:

Benzene-1,3,5-tricarbonyl trichloride

EC Number:

224-594-8

EC Name:

Benzene-1,3,5-tricarbonyl trichloride

Cas Number:

4422-95-1

Molecular formula:

C9H3Cl3O3

IUPAC Name:

benzene-1,3,5-tricarbonyl trichloride

Test material form:

solid

Details on test material:

- Physical state: (1) White to pale yellow liquid could crystallize (provided by the Sponsor) ; (2) White to pale yellow crystalline powder with some agglomerations (determined by test facility)
- Storage condition of test material: In refrigerator (2-8°C) protected from light
- Other: Two physical states/physical descriptions were provided by the sponsor and/or the test facility (upon test item receipt) ; applicant assessment indicates that the melting point is low (< 40°C) and therefore is responsible for the difference in descriptions

Reagents

Reagent:

NaOH solution

Titration of acidity and alkalinity

Details on titrant used:

- Volume of titrant used: 11.6070 mL 0.2 N NaOH solution for acidity measurement (i.e. 0.2 mol/L NaOH solution)
- Titer of titrant used: See above.
- Other: At 0.1%w/v concentration in water, since the test item did not fully dissolve in water and, thus, could not be titrated it was pre-treated with 10 mL acetone prior to adding 100 mL deionised water. The mixture was left stirring overnight to ensure the test item was fully dissolved.

Results and discussion

pH value

Key result

pH value:

1.97

Temp.:

20 °C

Concentration:

1 other: %w/v dilution in water

Remarks on result:

other: mean (n=2) pH ; pH range 1.96 to 1.98 ; temperature: 20 ± 1 °C ; 1% (w/v) dilution in water per OECD TG 122

Acidity or alkalinity

Key result

Acidity or alkalinity:

acidity

Value:

111

Remarks on result:

other: units: %m/m Acidity, calculated as H2SO4 ; concentration: 0.1%w/v dilution into water; test item pre-treated with 10 mL acetone prior to dilution in 100 mL water due to limited solubility per OECD TG 122

Any other information on results incl. tables

pH:
The pH values in duplicate were measured using the combined glass electrode and the pH was determined to be 1.96, and 1.98, respectively. The mean pH was 1.97.

Acidity:
The acidity of test item calculated as H2SO4, was determined to be 111 %m/m calculated as H2SO4 when the test item was pre-treated with 10 mL acetone prior to diluting in 100 mL deionised water. The amount of titrant 0.2 N sodium hydroxide solution used was 11.6070 mL

Applicant assessment indicates, when added to water the test item forms a highly acidic solution of pH < 2.0.

Applicant's summary and conclusion

Conclusions:

The pH values in duplicate were measured using the combined glass electrode and the pH was determined to be 1.96, and 1.98, respectively. The mean pH was 1.97. The acidity of test item calculated as H2SO4, was determined. The amount of titrant used 0.2 N sodium hydroxide solution was 11.6070 mL. The acidity of the test item was determined to be 111 %m/m calculated as H2SO4 when the test item was pre-treated with 10 mL acetone prior to diluting in 100 mL deionised water.

Executive summary:

The pH and/or acidity/alkalinity properties of the test item was determined in a OECD TG 122 study using electrometric end point determination under GLP. The pH was measured using a 906 Titrando and a combined glass electrode using a test item 1%w/v aqueous solution at 20 ± 1 °C. The pH meter was calibrated using three commercially available buffer solutions pH 4, pH 7 and pH 10. At the start and at the end of the measurements, pH of the buffer solution at pH 7 was measured to ensure proper performance of the pH meter. The determination of the acidity or alkalinity of the test item was performed if the pH of the test item or a 1% (w/v) dilution in water is < 4 or > 10 and if the test item is sufficiently soluble in water or acetone/water mixtures. 0.1029 g test item was accurately weighed into a titration vessel and dissolved in 100 mL deionised water under stirring. Since the test item did not fully dissolve in water and, thus, could not be titrated it was pre-treated with 10 mL acetone prior to adding to the 100 mL deionised water. The mixture was left stirring overnight to ensure the test item fully dissolved. After homogenization, the solution was titrated electrochemically to pH 7 at ambient temperature while stirring. To achieve this, a 0.2 N standardized sodium hydroxide solution (t mL) was used at 20 ± 1 °C. The test was performed in duplicate (n=2). The pH values in duplicate were measured using the combined glass electrode and the pH was determined to be 1.96, and 1.98, respectively. The mean pH was 1.97. The acidity of test item calculated as H2SO4, was determined. The amount of titrant used 0.2 N sodium hydroxide solution was 11.6070 mL. The acidity of the test item was determined to be 111 %m/m calculated as H2SO4 when the test item was pre-treated with 10 mL acetone prior to diluting in 100 mL deionised water.