CAS No.71566-54-6,diisopropyl 3,3'-[(2,5-dichloro-1,4-phenylene)bis[iminocarbonyl(2-hydroxy-3,1-naphthylene)azo]]bis[4-methylbenzoate] Suppliers

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Basic Information

Molecular Structure:
CAS No.:	71566-54-6
Name:	diisopropyl 3,3'-[(2,5-dichloro-1,4-phenylene)bis[iminocarbonyl(2-hydroxy-3,1-naphthylene)azo]]bis[4-methylbenzoate]

Formula:	C₅₀H₄₂Cl₂N₆O₈
Molecular Weight:	925.81
Synonyms:	diisopropyl 3,3-[(2,5-dichloro-1,4-phenylene)bis[iminocarbonyl(2-hydroxy-3,1-naphthylene)azo]]bis[4-methylbenzoate];Benzoic acid, 3,3-(2,5-dichloro-1,4-phenylene)bisiminocarbonyl(2-hydroxy-3,1-naphthalenediyl)azobis4-methyl-, bis(1-methylethyl) ester;CROMOPHTAL RED 2B);Pigment red 221 (C.I. 20065);C.I. Pigment Red 221;3,3-[(2,5-Dichloro-1,4-phenylene)bis[iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)azo]]bis(4-methylbenzoic acid 1-methylethyl) ester
EINECS:	275-639-3
Density:	1.37 g/cm³
Boiling Point:	958.4 °C at 760 mmHg
Flash Point:	533.4 °C
Solubility:	91μg/L at 23℃

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Specification

This chemical is called Benzoic acid, 3,3'-((2,5-dichloro-1,4-phenylene)bis(iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)-2,1-diazenediyl))bis(4-methyl-, 1,1'-bis(1-methylethyl) ester, and its CAS registry number is 71566-54-6. With the molecular formula of C₅₀H₄₂Cl₂N₆O₈, its molecular weight is 925.81. Additionally, its product category is Organics.

Other characteristics of the Benzoic acid, 3,3'-((2,5-dichloro-1,4-phenylene)bis(iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)-2,1-diazenediyl))bis(4-methyl-, 1,1'-bis(1-methylethyl) ester can be summarised as followings: (1)ACD/LogP: 14.33; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 14.33; (4)ACD/LogD (pH 7.4): 14.33; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 14; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 200.7 Å²; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 249.45 cm³; (15)Molar Volume: 673.1 cm³; (16)Polarizability: 98.89×10^-24cm³; (17)Surface Tension: 51.6 dyne/cm; (18)Density: 1.37 g/cm³; (19)Flash Point: 533.4 °C; (20)Enthalpy of Vaporization: 144.32 kJ/mol; (21)Boiling Point: 958.4 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cc1ccc(cc1N=Nc2c3ccccc3cc(c2O)C(=O)Nc4cc(c(cc4Cl)NC(=O)c5cc6ccccc6c(c5O)N=Nc7cc(ccc7C)C(=O)OC(C)C)Cl)C(=O)OC(C)C
2.InChI: InChI=1/C50H42Cl2N6O8/c1-25(2)65-49(63)31-17-15-27(5)39(21-31)55-57-43-33-13-9-7-11-29(33)19-35(45(43)59)47(61)53-41-23-38(52)42(24-37(41)51)54-48(62)36-20-30-12-8-10-14-34(30)44(46(36)60)58-56-40-22-32(18-16-28(40)6)50(64)66-26(3)4/h7-26,59-60H,1-6H3,(H,53,61)(H,54,62)
3.InChIKey: KTIRDZPYBSANLK-UHFFFAOYAP