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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Water solubility

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
water solubility
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 database
Qualifier:
according to guideline
Guideline:
other: estimated data
Principles of method if other than guideline:
WSKOW v1.42 was used to estimate the water solubility of 1,4-bis[(2-methylphenyl)amino]anthraquinone
GLP compliance:
not specified
Type of method:
other: estimated data
Specific details on test material used for the study:
- Name of test material : 1,4-bis[(2-methylphenyl)amino]anthraquinone
- Molecular formula : C28H22N2O2
- Molecular weight : 418.494 g/mol
- Smiles notation : c1cc2C(=O)c3c(C(=O)c2cc1)c(Nc1ccccc1C)ccc3Nc1c(cccc1)C
- InChl : 1S/C28H22N2O2/c1-17-9-3-7-13-21(17)29-23-15-16-24(30-22-14-8-4-10-18(22)2)26-25(23)27(31)19-11-5-6-12-20(19)28(26)32/h3-16,29-30H,1-2H3
- Substance type : Organic
- Physical state : Solid
Key result
Water solubility:
0 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: Estimated data
Conclusions:
The estimated water solubility of 1,4-bis[(2-methylphenyl)amino]anthraquinone at 25 deg C was 6.975E-06 mg/l.
Executive summary:

WSKOW v1.42 was used to estimate the water solubility of 1,4-bis[(2-methylphenyl)amino]anthraquinone.

The estimated water solubility of 1,4-bis[(2-methylphenyl)amino]anthraquinone at 25 deg C was 6.975E-06 mg/l.

Based on the estimated value, 1,4-bis[(2-methylphenyl)amino]anthraquinone was insoluble in water.

Description of key information

The estimated water solubility of 1,4-bis[(2-methylphenyl)amino]anthraquinone at 25 deg C was 6.975E-06 mg/l.

Key value for chemical safety assessment

Water solubility:
0 mg/L
at the temperature of:
25 °C

Additional information

WSKOW v1.42 was used to estimate the water solubility of 1,4-bis[(2-methylphenyl)amino]anthraquinone.

The estimated water solubility of 1,4-bis[(2-methylphenyl)amino]anthraquinone at 25 deg C was 6.975E-06 mg/l.

Based on the estimated value, 1,4-bis[(2-methylphenyl)amino]anthraquinone was insoluble in water.