Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
explosive properties of explosives
Study period:
22 May 2019
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
the study does not need to be conducted because there are no chemical groups present in the molecule which are associated with explosive properties
Justification for type of information:
JUSTIFICATION FOR DATA WAIVING
For organic substances, an Oxygen Balance (OB) calculation may be useful as a criteria combined with an examination of the chemical structure as a means of predicting oxidizing properties. The oxygen balance is calculated from the empirical formula of a compound in persentage of oxygen required for complete conversion of carbon to carbon dioxide, hydrogen to water and metals to metal oxide. Oxygen Balance should be used in conjunction with an evaluation of the molecular structure for indicate chemical groups known to possess the potential to cause oxidisation.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2019
Report date:
2019

Materials and methods

Principles of method if other than guideline:
- Principle of test: Chemical structure examined to determine if chemical groups associated with explosive properties are present and oxygen balance calculated.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
3-tert-butyl-1-(3,5-dicarboxyphenyl)-1H-pyrazol-5-aminium chloride
EC Number:
941-661-3
Molecular formula:
C15H18ClN3O4
IUPAC Name:
3-tert-butyl-1-(3,5-dicarboxyphenyl)-1H-pyrazol-5-aminium chloride
impurity 1
Reference substance name:
Unidentified impurity
IUPAC Name:
Unidentified impurity

Results and discussion

Any other information on results incl. tables

Structural alerts: no

Oxygen balance: -164.81

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
Based on the information and review of the test substance, it is deemed not to be potentially explosive.
Although the substance has an oxygen balance of >-200, the chemical structure contains no alert for explosive potential. On this basis, the substance is predicted to be not explosive.