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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
13 December 2005 - 8 February 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 105 (Water Solubility)
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
GLP compliance:
yes (incl. QA statement)

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

Water solubility
Water solubility:
0.07 mg/L
Temp.:
20 °C
pH:
6.2

Any other information on results incl. tables

Results of the determination of BIBR 277 Nitril concentrations      

 Analytical occasion after the start  measured concentration of BIBR 277 Nitril (mg/L)        Solubility of BIBR 277 Nitril in water mg/L
 79 hours  0.08  0.06  0.07 +-0.004                    0.07 +-0.007                                    
 93 hours  0.08  0.07
 141 hours  0.07  0.07
 148 hours  0.06  0.07
 151 hours  0.07  0.07
 mean  0.07 +-0.010  0.07 +-0.003
 pH  6.2  6.2
 94 hours  0.07  0.06  0.06 +-0.003                  
 100 hours  0.07  0.07
 141 hours  0.06  0.06
 147 hours  0.06  0.06
 165 hours  0.06  0.06
 mean  0.06 +-0.006  0.06 +-0.005
 pH  6.2  6.2 RSD %  = 7

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): insoluble (< 0.1 mg/L)
A water solubility of 0.07 mg/L at 20°C was determined in a reliable study conducted according to an appropriate test protocol.