Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Test performed according to GLP

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2015

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.2 (Boiling Temperature)
Qualifier:
according to guideline
Guideline:
OECD Guideline 103 (Boiling point/boiling range)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7220 (Boiling Point / Boiling Range)
GLP compliance:
yes (incl. QA statement)
Type of method:
differential scanning calorimetry

Test material

Constituent 1
Chemical structure
Reference substance name:
4-(2-{(E)-2-[(1E)-1-{(2E)-2-[1,1-dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene]ethylidene}-2-{methyl[(trifluoromethyl)sulfonyl]amino}-1H-inden-3-yl]vinyl}-1,1-dimethyl-1H-benzo[e]indolium-3-yl)butane-1-sulfonate compound with N,N-diethylethanamine (1:1)
EC Number:
940-889-0
Cas Number:
1770781-13-9
Molecular formula:
C51 H52 F3 N3 O8 S3 . C6 H15 N
IUPAC Name:
4-(2-{(E)-2-[(1E)-1-{(2E)-2-[1,1-dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene]ethylidene}-2-{methyl[(trifluoromethyl)sulfonyl]amino}-1H-inden-3-yl]vinyl}-1,1-dimethyl-1H-benzo[e]indolium-3-yl)butane-1-sulfonate compound with N,N-diethylethanamine (1:1)
Test material form:
solid: particulate/powder
Remarks:
migrated information: powder
Details on test material:
Identification CH03938
Appearance Green-brown powder (determined by WIL Research Europe)
Batch AD
Purity/Composition 97.85% (HPLC)
KF content 0.87% water
Test substance storage At room temperature in well-sealed container
Stable under storage conditions until Unknown
Purity/composition correction factor No correction factor required
Test substance handling No specific handling conditions required
Irritant or corrosive Yes

Results and discussion

Boiling point
Decomposition:
yes
Remarks on result:
other: Reaction and/or decomposition of CH03938 was observed during DSC experiments. Boiling of the test substance was not observed below the temperature at which reaction and/or decomposition started.

Any other information on results incl. tables

DSC-curve obtained with Experiment 1: An endothermic peak between 50°C and 100°C was observed. The effect was most likely obtained due to evaporation of volatile components (i.e. impurities) or due to reaction and/or decomposition. Endothermic and exothermic peaks between 200°C and 368°C were observed. The effect was most likely obtained due to melting and reaction and/or decomposition of the test substance. After the experiment, a black molten residue remained in the sample container.

 

To investigate the melting of the test substance Experiment 2 was stopped at 230°C and the sample was visually inspected. After the experiment, a black molten residue remained in the sample container. It can be concluded that the effects from 200°C were due to melting and reaction and/or decomposition of the test substance.

 

To investigate the endothermic peak between 50°C and 100°C, experiment 3 was stopped at 94°C and the sample was visually inspected. After the experiment, a dark green/brown residue remained in the sample container. The change of colour indicated that reaction and/or decomposition was the reason for this effect.

Applicant's summary and conclusion

Conclusions:
Reaction and/or decomposition of CH03938 was observed during DSC experiments. Melting and/or boiling of the test substance was not observed below the temperature at which reaction and/or decomposition started. Based on this, the test substance has no melting and/or boiling temperature.