1-(4-cyanophenyl)guanidine

Melting point / freezing point

Administrative data

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

09 September - 17 December 2015

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2016

Report date:

2016

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7200 (Melting Point / Melting Range)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

1-(4-cyanophenyl)guanidine

EC Number:

611-382-9

Cas Number:

5637-42-3

Molecular formula:

C8H8N4

IUPAC Name:

1-(4-cyanophenyl)guanidine

Test material form:

solid: particulate/powder

Details on test material:

- Name of test material (as stated in study reports): JNJ-4508530-AAA (T002707)
- Physical state: solid (powder)
- Appearance: white, beige powder

Specific details on test material used for the study:

Batch n°: I15BB0573
Analytical purity: > 97.0%
Expiration date: 08 February 2017
Storage condition: at room temperature

Results and discussion

Melting / freezing point

Key result

Melting / freezing pt.:

221.2 °C

Atm. press.:

1 013.25 hPa

Decomposition:

yes

Remarks:

Reaction and/or decomposition was observed during and directly after melting.

Decomp. temp.:

>= 221.2 °C

Any other information on results incl. tables

Preliminary test

From the TGA curve it could be derived that the weight of the sample decreased significantly at 225°C. At 343°C the sample weight has decreased by 25%. After the experiment, a black molten residue remained in the sample container (original colour: white, beige). The change of the colour indicated reaction and/or decomposition of the test item.

Main tests

In order to determine the melting more precisely, the DSC curve with a heating rate of 20°C/min showed an endothermic peak followed by an exothermic peak between 200°C and 275°C. The extrapolated onset temperature of the endothermic peak was 221.12°C. The effect was most likely obtained due to melting (endothermic peak) and reaction and/or decomposition (exothermic peak). After the experiment, a yellow molten residue remained. To investigate the melting peak between 200°C and 275°C, a repeated heating cycle was applied. The extrapolated onset temperature of the melting peak was 221.23°C. The melting temperature of T002707 was determined as the average melting temperature obtained from Experiment 1 and Experiment 2 and equals 221.2°C (494.3K).

Applicant's summary and conclusion

Conclusions:

The melting temperature of JNJ-4508530-AAA (T002707) was determined at 221.2°C (494.3K) by using DSC. Reaction and/or decomposition of JNJ-4508530-AAA (T002707) was observed during DSC experiments during and directly after melting.