Registration Dossier
Registration Dossier
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EC number: 209-247-0 | CAS number: 563-41-7
Boiling point
Administrative data
Link to relevant study record(s)
- Endpoint:
- boiling point
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting 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
- Justification for type of information:
- Internationally accepted calculation method EPI-SUITE EPA(USA)
1. SOFTWARE
EPI-SUITE EPA (USA)
2. MODEL (incl. version number)
MPBPVP v1.43
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : NC(=O)NN(CL)(H)(H)H
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
The QMRF is available in "Attached justification".
5. APPLICABILITY DOMAIN
The QPRF is available in “Attached justification”.
6. ADEQUACY OF THE RESULT
The QPRF is available in “Attached justification”. - Guideline:
- other: Reach Guidance on QSARs R.6
- Principles of method if other than guideline:
- Calculation by EPI-SUITE MPBPVPv 1.43.
- GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES:NC(=O)NN(CL)(H)(H)H
- Key result
- Boiling pt.:
- ca. 394.09 °C
- Remarks on result:
- other: QSAR predicted value.
- Conclusions:
- The estimated value of boiling point is 394.09ºC (MPBPVP v1.43).
- Executive summary:
The estimated value of boiling point is 394.09ºC (MPBPVP v1.43).
- Endpoint:
- boiling point
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- the study does not need to be conducted because the substance is a solid which decomposes before boiling
- Justification for type of information:
- JUSTIFICATION FOR DATA WAIVING
Study scientifically not necessary / other information available. In accordance with Column 2 of REACH Annex VII, the study does not need to be conducted because the substance decompose before boiling. - Reason / purpose for cross-reference:
- data waiving: supporting information
Referenceopen allclose all
MPBPVP v 1.43 predicted that test item has boiling point of 394.09ºC(Adapted Stein and Brown method).
Description of key information
Supporting study: Internationally accepted calculation method EPI-SUITE EPA(USA).The estimated value of boiling point is 394.09ºC (MPBPVP v1.43).
Data waiving: Study scientifically not necessary / other information available. In accordance with Column 2 of REACH Annex VII, the study does not need to be conducted because the substance decompose before boiling.
Key value for chemical safety assessment
- Boiling point at 101 325 Pa:
- 394.09 °C
Additional information
Supporting study: Internationally accepted calculation method EPI-SUITE EPA(USA).The estimated value of boiling point is 394.09ºC (MPBPVP v1.43).
Data waiving: Study scientifically not necessary / other information available. In accordance with Column 2 of REACH Annex VII, the study does not need to be conducted because the substance decompose before boiling.
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.
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