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EC number: 229-792-8 | CAS number: 6737-68-4
Boiling point
Administrative data
Link to relevant study record(s)
- Endpoint:
- boiling point
- 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 developed by USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- MPBPVP v1.43 was used to estimate the Boiling point of 1,4-bis[(2-methylphenyl)amino]anthraquinone
- GLP compliance:
- not specified
- Type of method:
- other: Estimated by calculation
- 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
- Boiling pt.:
- 598.47 °C
- Decomposition:
- no
- Remarks on result:
- other: Estimated value
- Conclusions:
- Based on prediction done using MPBPVP v1.43, the Boiling point of 1,4-bis[(2-methylphenyl)amino]anthraquinone was estimated to be 598.47 ˚C.
- Executive summary:
Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of 1,4 -bis[(2 -methylphenyl)amino]anthraquinone was predicted.
The boiling point of 1,4 -bis[(2 -methylphenyl)amino]anthraquinone was estimated to be 598.47 ˚C.
Reference
Description of key information
Based on prediction done using MPBPVP v1.43, the Boiling point of 1,4-bis[(2-methylphenyl)amino]anthraquinone was estimated to be 598.47 Deg C.
Key value for chemical safety assessment
- Boiling point at 101 325 Pa:
- 598.47 °C
Additional information
Based on the prediction done using the EPI Suite MPVPBP V1.43,the Boiling point of 1,4 -bis[(2 -methylphenyl)amino]anthraquinone was predicted.
The boiling point of 1,4 -bis[(2 -methylphenyl)amino]anthraquinone was estimated to be 598.47 ˚C.
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