CAS No.78952-72-4,Pigment Yellow 174 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	78952-72-4
Name:	Pigment Yellow 174

Formula:	C₃₅H₃₂Cl₂N₆O₄
Molecular Weight:	671.57
Synonyms:	Butanamide,2-[[3,3'-dichloro-4'-[[1-[[(2,4-dimethylphenyl)amino]carbonyl]-2-oxopropyl]azo][1,1'-biphenyl]-4-yl]azo]-N-(2-methylphenyl)-3-oxo-(9CI);C.I. 21098;C.I. Pigment Yellow 174;Irgalite Yellow LBS;IrgaliteYellow LBT;Permanent Yellow GRY;Permanent Yellow GRY 80;Print Yellow 1363;
EINECS:	279-017-2
Density:	1.311 g/cm³
Boiling Point:	796.289 °C at 760 mmHg
Flash Point:	435.38 °C
PSA:	141.78000
LogP:	9.09160

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Specification

The Pigment Yellow 174, with the CAS registry number 78952-72-4, is also known as Permanent Yellow GRY. Its EINECS number is 279-017-2. This chemical's molecular formula is C₃₅H₃₂Cl₂N₆O₄ and molecular weight is 671.57. What's more, its systematic name is 2-{[3,3'-Dichloro-4'-({1-[(2,4-dimethylphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl)-4-biphenylyl]diazenyl}-N-(2-methylphenyl)-3-oxobutanamide. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties of Pigment Yellow 174 are: (1)ACD/LogP: 8.699; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 8.48; (4)ACD/LogD (pH 7.4): 5.96; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 4348.37; (7)ACD/KOC (pH 5.5): 779197.10; (8)ACD/KOC (pH 7.4): 2324.63; (9)#H bond acceptors: 10; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 141.78 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 183.668 cm³; (15)Molar Volume: 512.283 cm³; (16)Polarizability: 72.812×10^-24cm³; (17)Surface Tension: 47.9280014038086 dyne/cm; (18)Density: 1.311 g/cm³; (19)Flash Point: 435.38 °C; (20)Enthalpy of Vaporization: 115.801 kJ/mol; (21)Boiling Point: 796.289 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(ccc2N=NC(C(C)=O)C(=O)Nc1ccc(C)cc1C)c4ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3C)c(Cl)c4
(2)Std. InChI: InChI=1S/C35H32Cl2N6O4/c1-19-10-13-29(21(3)16-19)39-35(47)33(23(5)45)43-41-31-15-12-25(18-27(31)37)24-11-14-30(26(36)17-24)40-42-32(22(4)44)34(46)38-28-9-7-6-8-20(28)2/h6-18,32-33H,1-5H3,(H,38,46)(H,39,47)
(3)Std. InChIKey: XAQOUXKUARYQQO-UHFFFAOYSA-N