Reaction mass of 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium chloride and 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium chloride dihydrate

Melting point / freezing point

Link to relevant study record(s)

Reference

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

30 Aug 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

reference to other study

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Version / remarks:

adopted in 2008

Deviations:

no

GLP compliance:

no

Type of method:

differential scanning calorimetry

Specific details on test material used for the study:

Storage conditions: ambient temperature (10 to 30 °C), dry

Melting / freezing pt.:

ca. 168.6 °C

Atm. press.:

1 013 hPa

Decomposition:

yes

Remarks on result:

other: Decomposition began after the test item had melted.

Results
DSC
Two DSC measurements showed a multistage effect (melting) in the temperature range of 125 to 180 °C. The onset temperature was derived from the intersection of the tangent line with the highest slope of the endothermal peak with the baseline.

Table 1 – Melting Point (DSC measurements)

Test item [mg]	Starting temperature [°C]	Final test temperature [°C]	Temperature range [°C]	Onset [°C]	Observations after the measurement
9.42	25	500	125 – 180	168.99	Test item was discoloured to black and discharged out of crucible, 52% mass loss
12.50		200	145 - 180	168.28	Test item was discoloured to orange and caked, 8% mass loss

 

 

Capillary Method
Table 2 – Results of Capillary Method

Set point [°C]	End point [°C]	Remarks
100	250	(Test item is a white powder at ambient temperature) Start at 100 °C: test item appeared unchanged Approx. 147 °C: test item started to melt Approx. 175 °C: test item was a white melt Approx. 180 °C: test item got foamy, foam was white Approx. 193 °C: foam discoloured to orange Approx. 209 °C: foam became darker Approx. 230 °C: foam moved up inside capillary End at 250 °C: no further changes

 

Conclusion: The test item has a melting point of 168.6 °C. Afterwards decomposition began.

Description of key information

Substance melted at 168.6 °C. Decomposition began afterwards. (OECD 102, DSC).

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:

168.6 °C