Iron(1+), chloro[dimethyl 9,9-dihydroxy-3-methyl-2,4-di(2-pyridinyl-kN)-7-[(2-pyridinyl-kN)methyl]-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate-kN3,kN7]-, chloride

Melting point / freezing point

Administrative data

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From 2004-04-21 to 2004-06-23

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2004

Report date:

2004

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

other: ASTM E537-86

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

1,5-dimethyl 3-methyl-9-oxo-2,4-bis(pyridin-2-yl)-7-[(pyridin-2-yl)methyl]-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate dichloroiron hydrate

EC Number:

610-388-9

Cas Number:

478945-46-9

Molecular formula:

C28H31N5O6FeCl2

IUPAC Name:

1,5-dimethyl 3-methyl-9-oxo-2,4-bis(pyridin-2-yl)-7-[(pyridin-2-yl)methyl]-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate dichloroiron hydrate

Test material form:

solid: particulate/powder

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: S2539801
- Expiration date of the lot/batch:
- Purity test date: 2004-11-12

RADIOLABELLING INFORMATION (if applicable) no

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
ambient/dark

TREATMENT OF TEST MATERIAL PRIOR TO TESTING: no

Results and discussion

Melting / freezing point

Key result

Atm. press.:

102.37 kPa

Decomposition:

yes

Decomp. temp.:

ca. 481 K

Remarks on result:

not determinable

Remarks:

As test item decomposed, no values for melting temperature could be determined.

Any other information on results incl. tables

Thermographic data - Determination 1:

Thermal event  Interpretation     Temperature      °C  K  Rising baseline  Onset of decomposition  208.1  481  -  Extrapolated onset of decomposition  237.3  510  Exotherm  Peak decomposition temperature  263.9  537

Thermographic data - Determination 2

Thermal event  Interpretation     Temperature      °C  K  Rising baseline  Onset of decomposition  208.1  481  -  Extrapolated onset of decomposition  236.1  509  Exotherm  Peak decomposition temperature  268.9  542

Atmospheric pressure: 102.37 kPa

Applicant's summary and conclusion

Conclusions:

The test material has been determined to decompose prior to melting from approximately 481K (208.1°C) at 102.37 kPa. As the test material decomposed, no values for melting or boiling temperature could be determined.

Executive summary:

The purpose of the test was to determine the melting point/range of the test item, according to the A1 method and following GLP. The Differential Scanning Calorimetry was used. The test material has been determined to decompose prior to melting from approximately 481K (208.1°C) at 102.37 kPa. As the test material decomposed, no values for melting or boiling temperature could be determined.