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Administrative data

Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
3 January - 24 January 2006
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: The study was conducted in GLP compliance and in accordance with several internationally established guidelines (OECD, EEC, EPA, see below).

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2006
Report date:
2006

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 102 (Melting point / Melting Range)
Qualifier:
according to guideline
Guideline:
EU Method A.1 (Melting / Freezing Temperature)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7200 (Melting Point / Melting Range)
GLP compliance:
yes (incl. QA statement)
Type of method:
capillary method

Test material

Constituent 1
Chemical structure
Reference substance name:
-
EC Number:
480-420-2
EC Name:
-
Cas Number:
144702-27-2
Molecular formula:
C33 H29 N5
IUPAC Name:
4'-{[4-methyl-6-(1-methyl-1H-1,3-benzodiazol-2-yl)-2-propyl-1H-1,3-benzodiazol-1-yl]methyl}-[1,1'-biphenyl]-2-carbonitrile
Details on test material:
- Name of test material (as cited in study report): BIBR 277 Nitril
- Molecular formula (if other than submission substance): C33H29N5
- Molecular weight (if other than submission substance): 495.6 g/mol
- Structural formula attached as image file (if other than submission substance): see reference substance
- Physical state: solid; slight yellowish
- Analytical purity: 99.7 %
- Purity test date: 17. october 2005
- Lot/batch No.: T02/03
- Expiration date of the lot/batch: april 2006
- Storage condition of test material: at room temperature, dark and dry

Results and discussion

Melting / freezing point
Melting / freezing pt.:
197.3 °C
Atm. press.:
1 013 mBar
Remarks on result:
other: atmospheric pressure assumed

Any other information on results incl. tables

table 1 summary of results from measurements I, II and III

         measured temperature [°C]
 Measurement  I/1  I/2  I/3
 Melting point  197.3  197.3  197.3
 Measurement  II/1  II/2  II/3
 Melting point  197.4  197.4  197.4
 Measurement  III/1  III/2  III/3
 Melting point  197.3  197.3  197.3
 Mean value      
 Mean value      197.3 +/-0.04

Applicant's summary and conclusion

Conclusions:
A melting temperature value of 197.3 °C was determined in a reliable study conducted according to a appropriate test protocol and in compliance with GLP.