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| CAS No.: | 6528-34-3 |
|---|---|
| Name: | Pigment Yellow 65 |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C18H18N4O6 |
| Molecular Weight: | 386.364 |
| Synonyms: | Butanamide,2-[(4-methoxy-2-nitrophenyl)azo]-N-(2-methoxyphenyl)-3-oxo- (9CI);AcetanilYellow RTCA;C.I. 11740;C.I. Pigment Yellow 65;Dalamar Yellow YT 820D;Hansa Yellow 3RN;Hansa Yellow RN;Permansa YellowLightfast Medium RA 12187; |
| EINECS: | 229-419-9 |
| Density: | 1.33 g/cm3 |
| Boiling Point: | 570.1 °C at 760 mmHg |
| Flash Point: | 298.6 °C |
| Solubility: | 1.9μg/L at 25℃ |
| Appearance: | yellow powder with red glow |
| PSA: | 135.17000 |
| LogP: | 3.88820 |
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Specification
The Butanamide,2-[2-(4-methoxy-2-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxo-, with the CAS registry number 6528-34-3, has the IUPAC name of 2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide. Being a kind of yellow powder with red glow, it is usually applied in the coloration of painting, rubber and stationery products, with its product categories including Organics.
The characteristics of this chemical are as below: (1)ACD/LogP: 4.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.94; (4)ACD/LogD (pH 7.4): 2.43; (5)#H bond acceptors: 10; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 8; (8)Polar Surface Area: 135.17; (9)Index of Refraction: 1.6; (10)Molar Refractivity: 99.15 cm3; (11)Molar Volume: 289.6 cm3; (12)Polarizability: 39.3×10-24 cm3; (13)Surface Tension: 50.3 dyne/cm; (14)Density: 1.33 g/cm3; (15)Flash Point: 298.6 °C; (16)Enthalpy of Vaporization: 85.52 kJ/mol; (17)Boiling Point: 570.1 °C at 760 mmHg; (18)Vapour Pressure: 5.21E-13 mmHg at 25°C; (19)Exact Mass: 386.122634; (20)MonoIsotopic Mass: 386.122634; (21)Topological Polar Surface Area: 135; (22)Heavy Atom Count: 28; (23)Complexity: 593.
Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC(=O)C(C(=O)NC1=CC=CC=C1OC)N=NC2=C(C=C(C=C2)OC)[N+](=O)[O-]
(2)InChI: InChI=1S/C18H18N4O6/c1-11(23)17(18(24)19-14-6-4-5-7-16(14)28-3)21-20-13-9-8-12(27-2)10-15(13)22(25)26/h4-10,17H,1-3H3,(H,19,24)
(3)InChIKey: UFORAEIAYCSGCR-UHFFFAOYSA-N