Registration Dossier
Registration Dossier
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EC number: 253-141-7 | CAS number: 36636-04-1
Water solubility
Administrative data
- Endpoint:
- water solubility
- 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:
- 1. SOFTWARE
WSKOWWIN™ and WATERNT, Included in EPI-Suite 4.11
2. MODEL (incl. version number)
WSKOWWIN™ V. 1.42 and WATERNT V.1.01
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : CN(C)P(CL)(Cc1ccccc1)(N(C)C)N(C)C
MOL FOR: C13 H25 CL1 N3 P1
MOL WT : 289.79
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Available in the Helpfiles of the software models.
5. APPLICABILITY DOMAIN
Sufficient description available in the helpfiles of the models in Section 7 of each file.
6. ADEQUACY OF THE RESULT
For the scope of the registration as an intermediate it is not required to make a new study on this endpoint. Together with data from
other sources and with data for similar substances the results of the method are valid and can be used for the classification and labelling
(eco-tox-section) and for risk assessment.
Data source
Referenceopen allclose all
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 016
Materials and methods
- GLP compliance:
- no
- Type of method:
- other: QSAR
Test material
- Reference substance name:
- Benzyltris(dimethylaminato)phosphorus(1+) chloride
- EC Number:
- 253-141-7
- EC Name:
- Benzyltris(dimethylaminato)phosphorus(1+) chloride
- Cas Number:
- 36636-04-1
- Molecular formula:
- C13H25ClN3P
- IUPAC Name:
- benzyl-tris(dimethylamino)phosphanium chloride
- Reference substance name:
- Water
- EC Number:
- 231-791-2
- EC Name:
- Water
- Cas Number:
- 7732-18-5
- Molecular formula:
- H2O
- IUPAC Name:
- water
- Reference substance name:
- Sum of other impurities
- IUPAC Name:
- Sum of other impurities
- Test material form:
- solid: particulate/powder
Constituent 1
impurity 1
impurity 2
Results and discussion
Water solubilityopen allclose all
- Water solubility:
- ca. 1 000 g/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- other: WSKOWWIN. WaterNT. Calculation based on Log KOW..
- Water solubility:
- ca. 4 165 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- other: WaterNT. Calculation based on fragments. No other parameter given.
- Water solubility:
- >= 400 g/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- pH:
- ca. 8
- Remarks on result:
- other: Experience from manufacturing. The substance is manufactured as a 30-40 % solution in Water.
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.
