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Name
4-[(2,4-Dimethylphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
- EINECS 229-043-5
- CAS No. 6407-78-9
- Density 1.19 g/cm3
- Solubility 62.94μg/L at 25℃
- Melting Point
- Formula C18H18N4O
- Boiling Point 497.8 °C at 760 mmHg
- Molecular Weight 306.367
- Flash Point 254.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 2-Phenyl-4-(2,4-dimethylphenylazo)-5-methyl-2H-pyrazole-3(4H)-one;solvent yellow 18;C.I.Food Yellow 12;4-(2',4'-Dimethylphenylazo)-3-methyl-1-phenylpyrazolin-5-on;Sudangelb G;5-methyl-2-phenyl-2H-pyrazole-3,4-dione 4-[(2,4-dimethyl-phenyl)-hydrazone];
- PSA 57.39000
- LogP 3.67900
Solvent Yellow 18 Specification
The CAS register number of Solvent Yellow 18 is 6407-78-9. It also can be called as 3H-Pyrazol-3-one, 4-(2-(2,4-dimethylphenyl)diazenyl)-2,4-dihydro-5-methyl-2-phenyl- and the systematic name about this chemical is 4-[(2,4-dimethylphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one. Its molecular formula is C18H18N4O and molecular weight is 306.36.
Physical properties about Solvent Yellow 18 are: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.26; (4)ACD/LogD (pH 7.4): 3.26; (5)ACD/BCF (pH 5.5): 177.93; (6)ACD/BCF (pH 7.4): 177.94; (7)ACD/KOC (pH 5.5): 1420.13; (8)ACD/KOC (pH 7.4): 1420.22; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.39Å2; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 91.26 cm3; (15)Molar Volume: 256.4 cm3; (16)Surface Tension: 44.2 dyne/cm; (17)Density: 1.19 g/cm3; (18)Flash Point: 254.8 °C; (19)Enthalpy of Vaporization: 76.58 kJ/mol; (20)Boiling Point: 497.8 °C at 760 mmHg; (21)Vapour Pressure: 4.81E-10 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: O=C2N(/N=C(\C2/N=N/c1ccc(cc1C)C)C)c3ccccc3
2.InChI: InChI=1/C18H18N4O/c1-12-9-10-16(13(2)11-12)19-20-17-14(3)21-22(18(17)23)15-7-5-4-6-8-15/h4-11,17H,1-3H3/b20-19+
3.InChIKey: KLQVCADYSBUVAV-FMQUCBEEBI
4.Std. InChI: InChI=1S/C18H18N4O/c1-12-9-10-16(13(2)11-12)19-20-17-14(3)21-22(18(17)23)15-7-5-4-6-8-15/h4-11,17H,1-3H3/b20-19+
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