Registration Dossier
Registration Dossier
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Reaction mass of lithium sodium hydrogen 4-amino-6-({5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatophenyl}diazenyl)-5-hydroxy-3-[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonate and lithium sodium hydrogen 4-amino-6-({5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatophenyl}diazenyl)-5-hydroxy-3-{[4-(vinylsulfonyl)phenyl]diazenyl}naphthalene-2,7-disulfonate
EC number: 941-533-7 | CAS number: -
Melting point / freezing point
Administrative data
Link to relevant study record(s)
- Endpoint:
- melting point/freezing point
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- See below under 'Overall remarks, attachments' for applicability domain.
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs: Chapter R.6. QSARs and grouping of chemicals
- Principles of method if other than guideline:
- The melting point is first estimated through adapted Joback group contribution and Gold and Ogle method and then the estimates from the methods are averaged.
- Type of method:
- other: calculated
- Key result
- Melting / freezing pt.:
- 349.84 °C
- Remarks on result:
- other:
- Remarks:
- QSAR estimated data
- Conclusions:
- The estimated melting point for the test substance using adapted Joback group contribution method and Gold and Ogle method of MPBPWIN v1.43 program (EPIWEB v 4.1) was 349.84°C.
- Executive summary:
The melting point of the test substance was estimated by MPBPWIN v1.43 (EPIWEB v 4.1) using two different methods, adapted Joback group contribution method and Gold and Ogle method. The test substance was found to fall in the applicability domain of this method. The estimates from the two methods were averaged to determine the melting point of the test substance. The estimated melting point of the test substance was 349.84°C (US EPA, 2016).
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with national standard methods with acceptable restrictions
- Principles of method if other than guideline:
- Differential thermal analysis (DTA).
- GLP compliance:
- not specified
- Type of method:
- thermal analysis
- Key result
- Melting / freezing pt.:
- > 230 °C
- Atm. press.:
- 1 atm
- Decomposition:
- yes
- Decomp. temp.:
- ca. 230 °C
- Conclusions:
- Under the study conditions, the melting temperature of the test substance could not be determined, as the substance melts under decomposition at > 230°C.
- Executive summary:
A study was conducted to determine the melting point of the test substance using differential thermal analysis. Under the study conditions, the melting temperature of the test substance could not be determined, as the substance melts under decomposition at > 230°C (Schacke, 1986).
Referenceopen allclose all
Description of key information
The melting point was determined by differential thermal analysis (Schacke, 1986) and was also estimated using MPBPWIN v1.43 software (US EPA, 2014).
Key value for chemical safety assessment
- Melting / freezing point at 101 325 Pa:
- 230 °C
Additional information
The substance decomposes prior to melting at 230°C.
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