Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 811-889-7 | CAS number: 1350653-26-7
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2019-01-15 to 2019-02-08
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- flask method
Test material
- Reference substance name:
- 5-fluoro-1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile
- EC Number:
- 811-889-7
- Cas Number:
- 1350653-26-7
- Molecular formula:
- C14 H8 F2 N4
- IUPAC Name:
- 5-fluoro-1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile
- Test material form:
- solid
Constituent 1
Results and discussion
Water solubility
- Key result
- Water solubility:
- 2.8 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 0.4 g/L
- Incubation duration:
- >= 24 h
- Temp.:
- 20 °C
- pH:
- 5
Applicant's summary and conclusion
- Conclusions:
- The water solubility of the test item was determined using the shake flask method. The saturation mass concentrations of the test item were determined using LC-MS/MS. The results showed no tendency to increase and met all validity criteria, therefore the study is considered to be valid.
Corresponding to the analyses the water solubility was determined to be 2.8 mg/L at 20 ± 0.5 °C. - Executive summary:
Title: Fluorpyridonitril: Determination of the Water Solubility
Purpose: The purpose of this study was to evaluate the solubility of the test item in water which is specified by the saturation mass concentration of the test item in water at a specified temperature.
Guidelines/Recommendations:
This study was based on the procedures indicated by the following internationally recognized documents:
OECD Guidelines for Testing of Chemicals, Guideline No.105, ”Water Solubility”; adopted July 27, 1995
Commission Regulation (EC) No 440/2008, Annex, Part A, Methods for the determination of physico-chemicals properties, A6 "Water Solubility", May 2008
Product Properties Test Guideline of the United States Environment Protection Agency (EPA), OPPTS 830.7840 Water Solubility: Column Elution Method; Shake Flask Method, March 1998
Results:
The water solubility of the test item was determined using the shake flask method. The saturation mass concentrations of the test item were determined using LC-MS/MS.
The results showed no tendency to increase and met all validity criteria, therefore the study is considered to be valid.
Corresponding to the analyses the water solubility was determined to be 2.8 mg/L at 20 ± 0.5 °C.
This study is classified acceptable and satisfies the guideline requirements for water solubility studies.
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.
