Name: Pigment Yellow 16
SKU: 5979-28-2

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Basic Information

Molecular Structure:
CAS No.:	5979-28-2
Name:	Pigment Yellow 16

Formula:	C₃₄H₂₈Cl₄N₆O₄
Molecular Weight:	726.43592
Synonyms:	Butanamide,N,N'-(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[2-[(2,4-dichlorophenyl)azo]-3-oxo-(9CI);C.I. Pigment Yellow 16 (7CI,8CI);C.I. 20040;Chromatex Yellow JN;HelioFast Yellow FPV;Hostaperm Yellow NCG;Irgalite Fast Yellow GC;Light YellowJN;NSC 521238;PV-Yellow G;Permanent Yellow NCG;Permanent Yellow NCG 70;Pigment Fast Yellow 3GL;Pigment Yellow 16;Pigment Yellow 3GL;Plastol Yellow3GL;Resamine Fast Yellow 3GL;Segnale Light Yellow NCG;Siloton Yellow NCG;Termosolido Yellow GL Supra;
EINECS:	227-783-3
Density:	1.4 g/cm³
Melting Point:	325 °C
Boiling Point:	811.8 °C at 760 mmHg
Flash Point:	444.8 °C
Solubility:	insoluble in water
Risk Codes:	R36/37/38
PSA:	155.23000
LogP:	1.31740

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Specification

The IUPAC name of Pigment yellow 16 is 2-[(2,4-dichlorophenyl)diazenyl]-N-[4-[4-[[2-[(2,4-dichlorophenyl)diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylphenyl]-3-oxobutanamide.. With the CAS registry number 5979-28-2, it is also named as Butanamide, N,N'-(3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(2-((2,4-dichloro- phenyl)azo)-3-oxo-. The product's category is Organics. The other registry numbers are 14449-90-2 and 63661-06-3. This chemical is yellow with green light. And it is insoluble in water. In addition, it is used in coloring paints, printing inks and plastic.

The other characteristics of Pigment yellow 16 can be summarized as: (1)ACD/LogP: 11.21; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 8.53; (4)ACD/LogD (pH 7.4): 7.71; (5)#H bond acceptors: 10; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 11; (8)Polar Surface Area: 141.78 Å²; (9)Index of Refraction: 1.651; (10)Molar Refractivity: 188.44 cm³; (11)Molar Volume: 515.6 cm³; (12)Polarizability: 74.7×10^-24 cm³; (13)Surface Tension: 50.5 dyne/cm; (14)Enthalpy of Vaporization: 118.01 kJ/mol; (15)Vapour Pressure: 2.04E-26 mmHg at 25°C; (16)Rotatable Bond Count: 11; (17)Tautomer Count: 992; (18)Exact Mass: 726.089664; (19)MonoIsotopic Mass: 724.092614; (20)Topological Polar Surface Area: 142; (21)Heavy Atom Count: 48; (22)Complexity: 1120.

People can use the following data to convert to the molecule structure.
1. SMILES:Clc4cc(Cl)ccc4N=NC(C(C)=O)C(=O)Nc1ccc(cc1C)c3ccc(NC(=O)C(N=Nc2ccc(Cl)cc2Cl)C(C)=O)c(C)c3
2. InChI:InChI=1/C34H28Cl4N6O4/c1-17-13-21(5-9-27(17)39-33(47)31(19(3)45)43-41-29-11-7-23(35)15-25(29)37)22-6-10-28(18(2)14-22)40-34(48)32(20(4)46)44-42-30-12-8-24(36)16-26(30)38/h5-16,31-32H,1-4H3,(H,39,47)(H,40,48)
3. InChIKey:JFMYRCRXYIIGBB-UHFFFAOYAW