Registration Dossier
Registration Dossier
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EC number: 233-357-8 | CAS number: 10127-27-2
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- EPI-Suite (US EPA), core model MPBPWIN, is an approved QSAR tool for the prediction of the vapour pressure
- Justification for type of information:
- EPI-Suite (US EPA), core model MPBPWIN, is an approved QSAR tool for the prediction of the vapour pressure. The vapour pressure is calculated from structural parameters. The algorithm is derived from a correlation of a large number of chemical substances with experimental vapour pressure data.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACh Guidance on QSARs R.6
- Principles of method if other than guideline:
- EPI-Suite (US EPA) v4.11, model MPBPWIN v 1.43
Test material
- Reference substance name:
- Sodium [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(3-)]hydroxychromate(1-)
- EC Number:
- 233-357-8
- EC Name:
- Sodium [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(3-)]hydroxychromate(1-)
- Cas Number:
- 10127-27-2
- Molecular formula:
- C16H11CrN5O8S.Na
- IUPAC Name:
- sodium [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(3-)]hydroxychromate(1-)
- Details on test material:
- SMILES: N3=C (C)C(N=Nc2c(O)c(S(=O)(=O)O)cc(N(=O))c2)C(=O)N3c1ccccc1
Constituent 1
Results and discussion
Vapour pressure
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- < 0.001 Pa
Applicant's summary and conclusion
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
