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82643-43-4

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Basic Information
CAS No.: 82643-43-4
Name: C.I. Pigment Red 214
Molecular Structure:
Molecular Structure of 82643-43-4 (C.I. Pigment Red 214)
Formula: C40H22Cl6N6O4
Molecular Weight: 863.37
Synonyms: (4Z,4'E)-N,N'-(2,5-Dichlorobenzene-1,4-diyl)bis{4-[(2,5-dichlorophenyl)hydrazono]-3-oxo-3,4-dihydronaphthalene-2-carboxamide};N,N'-(2,5-Dichloro-1,4-phenylene)bis(4-((2,5-dichlorophenyl)azo)-3-hydroxynaphthalene-2-carboxamide);
Density: 1.57 g/cm3
PSA: 148.10000
LogP: 14.80600
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Specification

The Sumitone Fast Red B, with the CAS registry number 82643-43-4, is also known as N,N'-(2,5-Dichloro-1,4-phenylene)bis(4-((2,5-dichlorophenyl)azo)-3-hydroxynaphthalene-2-carboxamide). Its EINECS number is 255-005-2. This chemical's molecular formula is C40H22Cl6N6O4 and molecular weight is 863.36. What's more, its systematic name is (4Z,4'E)-N,N'-(2,5-Dichlorobenzene-1,4-diyl)bis{4-[(2,5-dichlorophenyl)hydrazono]-3-oxo-3,4-dihydronaphthalene-2-carboxamide}.

Physical properties of Sumitone Fast Red B are: (1)ACD/LogP: 11.37; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 11.37; (4)ACD/LogD (pH 7.4): 11.32; (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: 10; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 105.96 Å2; (13)Index of Refraction: 1.728; (14)Molar Refractivity: 218.39 cm3; (15)Molar Volume: 548 cm3; (16)Polarizability: 86.57×10-24 cm3; (17)Surface Tension: 60.6 dyne/cm; (18)Density: 1.57 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(Cl)cc1)N\N=C2/c7ccccc7\C=C(/C2=O)C(=O)Nc3c(Cl)cc(c(Cl)c3)NC(=O)/C6=C/c4c(cccc4)/C(=N/Nc5cc(Cl)ccc5Cl)C6=O
(2)InChI: InChI=1/C40H22Cl6N6O4/c41-21-9-11-27(43)33(15-21)49-51-35-23-7-3-1-5-19(23)13-25(37(35)53)39(55)47-31-17-30(46)32(18-29(31)45)48-40(56)26-14-20-6-2-4-8-24(20)36(38(26)54)52-50-34-16-22(42)10-12-28(34)44/h1-18,49-50H,(H,47,55)(H,48,56)/b51-35-,52-36+
(3)InChIKey: MNLBCOXUPUYNFP-AQWQROAZBI