Ammonium 3-nitrobenzoate

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2017-07-10 - 2017-07-20 (experimental phase)

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Cross-reference

Reason / purpose for cross-reference:

reference to other study

Remarks:

Melting point determination

Reference

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Remarks:

no GLP

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Version / remarks:

27th July 1995

Deviations:

no

GLP compliance:

no

Type of method:

capillary method

Specific details on test material used for the study:

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: dried in a desiccator over night

Key result

Melting / freezing pt.:

>= 202 °C

Decomposition:

yes

Decomp. temp.:

>= 206 °C

Sublimation:

no

Conclusions:

The melting point was aimed to be determined in a scientifically well-conducted study according to OECD TG 102, the results are hence sufficiently reliable. Melting started at 202°C, decomposition started at 206°C, most probably due to ammonia elimination based on the test item's molecular structure.

Executive summary:

The melting point of the test material ammonium-3-nitrobenzoatewas determined experimentally using the capillary method in a non-GLP test according to OECD guideline 102. The test material started to melt at 202°C, decomposition started at 206°C.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Version / remarks:

OECD Guideline No. 103 “Boiling Point“, dated 27. Jul. 1995

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Version / remarks:

EU-Method A.2 of 30. May 2008, published on 31. May 2008, “Boiling Temperature“

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

method according to Siwoloboff

Test material

Test material information

Constituent 1

Reference substance name:

Ammonium 3-nitrobenzoate

EC Number:

242-965-2

EC Name:

Ammonium 3-nitrobenzoate

Cas Number:

19328-56-4

Molecular formula:

C7H5NO4.H3N

IUPAC Name:

ammonium 3-nitrobenzoate

Test material form:

solid: particulate/powder

Remarks:

slightly beige

Details on test material:

Storage: Room Temperature: (20 ± 5°), Keep away from humidity

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: sponsor

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: The test item was stored in a closed vessel at room temperature (17.8 – 22.5 °C).

Results and discussion

Boiling point

Key result

Decomposition:

yes

Decomp. temp.:

205 °C

Remarks on result:

not determinable

Applicant's summary and conclusion

Conclusions:

The boiling point was aimed to be determined in a scientifically well-conducted study according to OECD TG 103, the results are hence sufficiently reliable. The boiling point was performed with the Siwoloboff method.
Signs for possible boiling indicated by a bubble chain were observed at 212.6 – 213.4 °C, the beginning was observed at 205 °C after the test item was completely melted.
The Siwoloboff method determines the boiling point by heating the test item up to the temperature where bubbles, commonly associated with boiling, are observed. The test item is allowed to cool down, and the temperature, at which no more bubbles can be observed, is defined as the boiling point
In accordance to the structural formula the observed bubbles might be a release of ammoniac caused through the heating process. The observed colourless gas confirm this.
The fact that the observed condensate was colourless could be indicative that the condensate may not be chemically identical to the residue, which further indicates that decomposition might have occurred, too
The break of the bubble chain was visible at 191.9 – 192.4 °C this might indicate decomposition as well, as this temperature is below the melting temperature.
The initially slightly beige powder turned upon heating into a brown mass, which may be indicative for decomposition. This is supported by the available melting point determination, in which heating was continued to temperatures higher than the observed melting point. In this study, melting started at 202°C, decomposition started at 206°C, most probably due to ammonia elimination based on the test item's molecular structure. It can be hence concluded that a similar observation was made in the present study.
Therefore no boiling point of Ammonium-3-nitrobenzoate could be determined because of supposed decomposition of the test at 205 °C ( 478.15 K).
No observations were made which might cause doubts on the validity of the study outcome. Therefore, the result of the study is considered valid.

Executive summary:

The boiling point was determined according to OECD 103 resp. EU A.2 under GLP following the Siwoloboff method.

Signs for possible boiling indicated by a bubble chain were observed at 212.6 – 213.4 °C, the beginning was observed at 205 °C after the test item was completely melted.

In accordance to the structural formula the observed bubbles might be a release of ammoniac caused through the heating process.

Therefore no boiling point of Ammonium-3-nitrobenzoate could be determined because of supposed decomposition of the test at 205 °C (478.15 K).