Molecule structure of Pigment Yellow 55 (CAS NO.6358-37-8):
IUPAC Name: 2-[[2-Chloro-4-[3-chloro-4-[[1-(4-methylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(4-methylphenyl)-3-oxobutanamide
Molecular Weight: 657.5458 [g/mol]
Molecular Formula: C34H30Cl2N6O4
Index of Refraction: 1.64
Molar Refractivity: 179.24 cm3
Molar Volume: 497.1 cm3
Surface Tension: 49.2 dyne/cm
Density: 1.32 g/cm3
Flash Point: 443.7 °C
Enthalpy of Vaporization: 117.75 kJ/mol
Boiling Point: 810 °C at 760 mmHg
Vapour Pressure: 2.72E-26 mmHg at 25 °C
XLogP3-AA: 8.8
H-Bond Donor: 2
H-Bond Acceptor: 8
Rotatable Bond Count: 11
Tautomer Count: 78
Exact Mass: 656.170559
MonoIsotopic Mass: 656.170559
Topological Polar Surface Area: 142
Heavy Atom Count: 46
Canonical SMILES: CC1=CC=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=C(C=C4)C)Cl)Cl
InChI: InChI=1S/C34H30Cl2N6O4/c1-19-5-11-25(12-6-19)37-33(45)31(21(3)43)41-39-29-15-9-23(17-27(29)35)24-10-16-30(28(36)18-24)40-42-32(22(4)44)34(46)38-26-13-7-20(2)8-14-26/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)
InChIKey: UCUHCYVCVYRSER-UHFFFAOYSA-N
EINECS: 228-771-0
Product Categories of Pigment Yellow 55 (CAS NO.6358-37-8): Organics
Pigment Yellow 55 (CAS NO.6358-37-8) is also named as C.I. 21096 ; 2,2'-((3,3'-Dichloro(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(N-(4-methylphenyl)-3-oxobutyramide) ; Butanamide, 2,2'-((3,3'-dichloro(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(N-(4-methylphenyl)-3-oxo- ; Butanamide, 2,2'-((3,3'-dichloro(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(N-(4-methylphenyl)-3-oxo- .
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