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EC number: 301-568-5 | CAS number: 94022-69-2
Flash point
Administrative data
Link to relevant study record(s)
- 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
- 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: 4,4'-[vinylenebis[(3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(1-sulpho-2-naphthyl)azo] naphthalene-2,7-disulphonic] acid
- IUPAC name: 4,4'-[vinylenebis[(3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(1-sulpho-2-naphthyl)azo] naphthalene-2,7-disulphonic] acid
- Molecular formula: C60H40Cl2N14O26S8
- Molecular weight: 1700.482 g/mole
- Smiles c1ccc2c(c1)ccc(c2S(=O)(=O)O)/N=N/c3c(cc4cc(cc(c4c3O)Nc5nc(nc(n5)Cl)Nc6ccc(c(c6)S(=O)(=O)O)/C=C/c7c(cccc7S(=O)(=O)O)Nc8nc (nc(n8)Cl)Nc9cc(cc1c9c(c(c(c1)S(=O)(=O)O)/N=N/c1ccc2ccccc2c1S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
- Inchl: 1S/C60H40Cl2N14O26S8/c61-55-67-57(71-59(69-55)65-41-25-33(103(79,80)81)20-30-22-45(107(91,92)93)49(51(77)47(30)41)75-73-39-18-14-27-6-1-3-8-35(27)53(39)109(97,98)99)63-32-16-12-29(44(24-32)106(88,89)90)13-17-37-38(10-5-11-43(37)105(85,86)87)64-58-68-56(62)70-60(72-58)66-42-26-34(104(82,83)84)21-31-23-46(108(94,95)96)50(52(78)48(31)42)76-74-40-19-15-28-7-2-4-9-36(28)54(40)110(100,101)102/h1-26,77-78H,(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H2,63,65,67,69,71)(H2,64,66,68,70,72)/b17-13+,75-73+,76-74+
- Substance type: Organic
- Physical state: Solid - Key result
- Flash point:
- ca. 115.41 °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 4,4'-[vinylenebis[(3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl) imino]]bis[5-hydroxy-6 -[(1-sulpho-2-naphthyl)azo] naphthalene-2,7-disulphonic] acid (CAS no. 94022-69-2) was estimated to be 115.41 degree C.
- Executive summary:
Based on the calculation done using scientifically verified and validated formulas / equations, the flash point of chemical
4,4'-[vinylenebis[(3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl) imino]]bis[5-hydroxy-6 -[(1-sulpho-2-naphthyl)azo] naphthalene-2,7-disulphonic] acid (CAS no. 94022-69-2) was estimated to be 115.41 degree C.
Thus, according to flash point value the chemical 4,4'-[vinylenebis[(3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]] bis[5-hydroxy-6 -[(1-sulpho-2-naphthyl)azo] naphthalene-2,7-disulphonic] acid (CAS no. 94022-69-2) was not classified as flammable.
Reference
Description of key information
Based on the Calculation done using scientifically verified and validated formulas / equations, the flash point of chemical 4,4'-[vinylenebis[(3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl) imino]]bis[5-hydroxy-6 -[(1-sulpho-2-naphthyl)azo] naphthalene-2,7-disulphonic] acid (CAS no. 94022-69-2) was estimated to be 115.41 degree C.
Key value for chemical safety assessment
- Flash point at 101 325 Pa:
- 115.41 °C
Additional information
Based on the calculation done using scientifically verified and validated formulas / equations, the flash point of chemical
4,4'-[vinylenebis[(3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl) imino]]bis[5-hydroxy-6 -[(1-sulpho-2-naphthyl)azo] naphthalene-2,7-disulphonic] acid (CAS no. 94022-69-2) was estimated to be 115.41 degree C.
Thus, according to flash point value the chemical 4,4'-[vinylenebis[(3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]] bis[5-hydroxy-6 -[(1-sulpho-2-naphthyl)azo] naphthalene-2,7-disulphonic] acid (CAS no. 94022-69-2) was not classified as flammable.
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