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EC number: 275-170-4 | CAS number: 71077-14-0
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- Determination of the partition Coefficient n-octanol/water of chemical 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, reaction products with guanidine hydrochloride N,N'-bis(mixed Ph, tolyl and xylyl) derivs. (CAS No. 71077-14-0).
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Name of test material : 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, reaction products with guanidine hydrochloride N,N'-bis(mixed Ph, tolyl and xylyl) derivs.
- Molecular formula: C17H18ClN7O9S2
- Molecular weight: 563.954g/mol
- Substance type: Organic
- Physical state: solid
-Smiles: N1(c2ccc(cc2)S(=O)(=O)O)N=C(C(O)=O)[C@@H](\N=N\c2ccc(cc2)S(=O)(=O)O)C1=O.C(=N)(N)N.Cl
-InChI: 1S/C16H12N4O9S2.CH5N3.ClH/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;2-1(3)4;/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);(H5,2,3,4);1H/b18-17+;; - Key result
- Type:
- log Pow
- Partition coefficient:
- 4.8
- Temp.:
- 25 °C
- Remarks on result:
- other: Other details not known
- Details on results:
- The Partition coefficient (Pow) of the chemical 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, reaction products with guanidine hydrochloride N,N'-bis(mixed Ph, tolyl and xylyl) derivs. (CAS No. 15790-07-5) was determined to be 4.8 at 25°C.
- Conclusions:
- The partition coefficient(n-octanol/water) of test substance 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, reaction products with guanidine hydrochloride N,N'-bis(mixed Ph, tolyl and xylyl) derivs. (CAS No. 15790-07-5) was determined to be 4.8 at 25°C.
- Executive summary:
The partition coefficient(n-octanol/water) (logKow) of test substance 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, reaction products with guanidine hydrochloride N,N'-bis(mixed Ph, tolyl and xylyl) derivs. (CAS No. 15790-07-5) was determined to be 4.8 at 25°C. Thus, on the basis of this value, chemical 1H-Pyrazole-3 -carboxylic acid, 4,5 -dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, reaction products with guanidine hydrochloride N,N'-bis(mixed Ph, tolyl and xylyl) derivs. can be considered to be hydrophobic in nature.
Reference
Description of key information
The partition coefficient(n-octanol/water) (logKow) of test substance 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, reaction products with guanidine hydrochloride N,N'-bis(mixed Ph, tolyl and xylyl) derivs. (CAS No. 15790-07-5) was determined to be 4.8 at 25°C. Thus, on the basis of this value, chemical 1H-Pyrazole-3 -carboxylic acid, 4,5 -dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, reaction products with guanidine hydrochloride N,N'-bis(mixed Ph, tolyl and xylyl) derivs. can be considered to be hydrophobic in nature.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.8
- at the temperature of:
- 25 °C
Additional information
The partition coefficient(n-octanol/water) (logKow) of test substance 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, reaction products with guanidine hydrochloride N,N'-bis(mixed Ph, tolyl and xylyl) derivs. (CAS No. 15790-07-5) was determined to be 4.8 at 25°C. Thus, on the basis of this value, chemical 1H-Pyrazole-3 -carboxylic acid, 4,5 -dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, reaction products with guanidine hydrochloride N,N'-bis(mixed Ph, tolyl and xylyl) derivs. can be considered to be hydrophobic in nature.
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