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EC number: 235-460-3 | CAS number: 12236-25-8
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 chemical 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile
- GLP compliance:
- not specified
- Type of method:
- other: Estimated by calculation
- Specific details on test material used for the study:
- - Name of test material: 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile
- IUPAC name: 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile
- Molecular formula: C18H19N5O4
- Molecular weight: 369.38 g/mole
- Smiles : Cc1cc(N(CCO)CCO)ccc1N=Nc1ccc(N(=O)=O)cc1C#N
- Substance type: Organic
- Physical state: Solid powder (violet) - Key result
- Boiling pt.:
- 559.33 °C
- Remarks on result:
- other: Estimated value
- Conclusions:
- Based on prediction done using MPBPVP v1.43, the Boiling point of chemical 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) was estimated to be 559.33 ˚C
- Executive summary:
Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of chemical 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) was predicted.
The boiling point of chemical 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) was estimated to be 559.33 ˚C.
Reference
Description of key information
Based on prediction done using MPBPVP v1.43, the Boiling point of chemical 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) was estimated to be 559.33 ˚C
Key value for chemical safety assessment
- Boiling point at 101 325 Pa:
- 559.33 °C
Additional information
Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of chemical 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) was predicted.
The boiling point of chemical 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) was estimated to be 559.33 ˚C.
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