2,4,6-trinitrobenzene-1,3,5-triamine

Surface tension

Administrative data

Endpoint:

surface tension

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

the study does not need to be conducted because based on structure, surface activity is not expected or cannot be predicted

the study does not need to be conducted because surface activity is not a desired property of the material

the study does not need to be conducted because water solubility is below 1 mg/L at 20°C

Justification for type of information:

JUSTIFICATION FOR DATA WAIVING
According to REACH Annex VII/column 2, the study needs only to be conducted if based on structure, surface activity is expected or can be predicted. Moreover, if the water solubility is below 1 mg/L at 20 °C the test does not need to be conducted.
The present substance fulfills all the above criteria, as it is not intended to be used as a surfactant (i.e. not a desired property), and it does not contain groups (such as distinct polar and non-polar parts) indicating that it will have surface active properties in solution. Moreover, as presented under IUCLID Section 4.8, the water solubility is < 0.5 µg/L (at 20°C). Therefore, the study is not required.

Cross-reference

Reason / purpose for cross-reference:

data waiving: supporting information

Reference

Experimental water solubility < 0.5 µg/L at 20°C (< LOQ).

First, several literature sources were identified, providing solubility data from various experiment and QSARs. Values ranged from 0.16 mg/L to 2.5 g/L, so were considered inconsistent and not suitable for a WoE approach.

The variability may be explained by the very particular structure of the substance, with strong intra- and inter-molecular hydrogen bonds.

Therefore, an attempt was made to measure the solubility with the column elution method. A HPLC/MS/MS method was developed and validated for the analysis, but all samples were found below the LOQ of 0.5 µg/L. Therefore the result is expressed as a limit value.