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Flash point

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Reference
Endpoint:
flash point, other
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:
Calculated based upon scintifically verified and validated formulas / equations
Qualifier:
according to guideline
Guideline:
other: Calculated based upon scintifically verified and validated method from
Principles of method if other than guideline:
Estimate the Flash Point of Dipotassium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
GLP compliance:
no
Type of method:
other: Calculation Model
Flash point apparatus:
other: Calculation Model
Specific details on test material used for the study:
- Name of test material : Dipotassium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
- Molecular formula : C40H42K2N12O10S2
- Molecular weight : 993.174 g/mol
- Smiles notation : [K+].[K+].C(=C\c1c(cc(cc1)Nc1nc(nc(n1)N(CCO)CCO)Nc1ccccc1)S(=O)(=O)[O-])\c1c(cc(cc1)Nc1nc(nc(n1)N(CCO)CCO)Nc1ccccc1)S(=O)(=O)[O-]
- InChl : 1S/C40H44N12O10S2.2K/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;;/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2/b12-11+;;
- Substance type: Organic
- Physical state: Solid
Key result
Flash point:
1 284.01 °C
Atm. press.:
1 atm
Remarks on result:
other: No other detail available
Interpretation of results:
GHS criteria not met
Conclusions:
Flash point of Dipotassium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate is calculated at 1 atm. Pressure to be 1284.01 Deg C.
Executive summary:

Flash point of Dipotassium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate is calculated at 1 atm. Pressure to be 1284.01 Deg C.

Description of key information

Flash point of Dipotassium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate is calculated at 1 atm. Pressure to be 1284.01 Deg C.

Key value for chemical safety assessment

Flash point at 101 325 Pa:
1 284.1 °C

Additional information

Flash point of Dipotassium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate is calculated at 1 atm. Pressure to be 1284.01 Deg C.