Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Data is from modelling databases.
Qualifier:
according to guideline
Guideline:
other: refer principle below
Principles of method if other than guideline:
To estimate octanol water partition coefficent of test chemical 2-methoxy-5-nitroanilinium chloride ( CAS no. 67827-72-9)
GLP compliance:
not specified
Type of method:
other: estimated
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Name of test material (IUPAC name): 2-methoxy-5-nitroanilinium chloride
- Molecular formula: C7H9ClN2O3
- Molecular weight: 204.6121 g/mol
- Smiles notation: Cl.COc1ccc(cc1N)[N+](=O)[O-]
- InChl: 1S/C7H8N2O3.ClH/c1-12-7-3-2-5(9(10)11)4-6(7)8;/h2-4H,8H2,1H3;1H
- Substance type: Organic
- Physical state: no data
Key result
Type:
log Pow
Partition coefficient:
-1.458
Temp.:
25 °C
Remarks on result:
other: other details not available
Conclusions:
The octanol water partition coefficent (log Pow) of chemical 2-methoxy-5-nitroanilinium chloride was estimated to be -1.4583 dimesionless at temperrature 25 oC.
Executive summary:

By using KOWWIN Program (v1.68) of Estimation Program Interface (EPI suite, 2017) the octanol water partition coefficent (log Pow) of chemical 2-methoxy-5-nitroanilinium chloride was estimated to be -1.4583 dimensionless at temparature 25oC. By this log Pow value chemical 2-methoxy-5-nitroanilinium chloride is considered as hydrophilic in nature.

Description of key information

By using KOWWIN Program (v1.68) of Estimation Program Interface (EPI suite, 2017) the octanol water partition coefficent (log Pow) of chemical 2-methoxy-5-nitroanilinium chloride was estimated to be -1.4583 dimensionless at temparature 25oC. By this log Pow value chemical 2-methoxy-5-nitroanilinium chloride is considered as hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
-1.458
at the temperature of:
25 °C

Additional information

By using KOWWIN Program (v1.68) of Estimation Program Interface (EPI suite, 2017) the octanol water partition coefficent (log Pow) of chemical 2-methoxy-5-nitroanilinium chloride was estimated to be -1.4583 dimensionless at temparature 25oC. By this log Pow value chemical 2-methoxy-5-nitroanilinium chloride is considered as hydrophilic in nature.