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Physical & Chemical properties

Flash point

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Reference
Endpoint:
flash point, other
Remarks:
Flash 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:
Calculation based upon scientifically verified and validated formulas / equations
Qualifier:
according to
Guideline:
other: Calculated based upon scintifically verified and validated method from F. Hshieh, Fire Mat., 21, 1997, 277-282
Principles of method if other than guideline:
Calculated based upon scintifically verified and validated method from F. Hshieh, Fire Mat., 21, 1997, 277-282
GLP compliance:
not specified
Type of method:
other: Estimated value
Flash point apparatus:
other: no data
Specific details on test material used for the study:
- Name of test material: Gentian violet
- IUPAC name: N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride
- Molecular formula: C25H30ClN3
- Molecular weight: 407.986 g/mole
- Smiles : C(\c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)=C1\C=C\C(=[N+](/C)C)C=C1.[ClH-]
- Inchl: 1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1
- Substance type: Organic
- Physical state: Solid green powder
Key result
Flash point:
ca. 405.071 °C
Remarks on result:
other: Estimated value
Interpretation of results:
other: Non-flammable
Conclusions:
Based on the Calculation done using scientifically verified and validated formulas / equations ,the flash point of chemical N-(4-{bis[4-(dimethylamino) phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride was estimated to be 405.071 degree C.
Executive summary:

Based on the Calculation done using  scientifically verified and validated formulas / equations ,the flash point of chemical N-(4-{bis[4-(dimethylamino) phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride was estimated to be 405.071 degree C.

Description of key information

Based on the Calculation done using  scientifically verified and validated formulas / equations ,the flash point of chemical N-(4-{bis[4-(dimethylamino) phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride was estimated to be 405.071 degree C.

Key value for chemical safety assessment

Flash point at 101 325 Pa:
405.071 °C

Additional information

Based on the Calculation done using  scientifically verified and validated formulas / equations ,the flash point of chemical N-(4-{bis[4-(dimethylamino) phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride was estimated to be 405.071 degree C.