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The Pigment Red 5, with the CAS registry number 6410-41-9, is also known as C.I. Pigment Red 5. It belongs to the product categories of Dyes and Pigments; Organics. Its EINECS number is 229-107-2. This chemical's molecular formula is C30H31ClN4O7S and molecular weight is 627.11. What's more, its systematic name is N-(5-Chloro-2,4-dimethoxyphenyl)-4-{[5-(diethylsulfamoyl)-2-methoxyphenyl]diazenyl}-3-hydroxy-2-naphthamide. This chemical is mainly used in the dying of printing ink, paint, coating printing paste, paper and plastic latex. This product is mainly prepared through chromophore ITR diazotization and azoic coupling component AS-ITR coupled.
Physical properties of Pigment Red 5 are: (1)ACD/LogP: 8.942; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 8.94; (4)ACD/LogD (pH 7.4): 8.94; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 1742684.00; (8)ACD/KOC (pH 7.4): 1741180.00; (9)#H bond acceptors: 11; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 147.5 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 163.033 cm3; (15)Molar Volume: 464.691 cm3; (16)Polarizability: 64.631×10-24cm3; (17)Surface Tension: 48.79 dyne/cm; (18)Density: 1.35 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(OC)c(cc1Cl)NC(=O)c4cc2ccccc2c(N=Nc3cc(ccc3OC)S(=O)(=O)N(CC)CC)c4O
(2)Std. InChI: InChI=1S/C30H31ClN4O7S/c1-6-35(7-2)43(38,39)19-12-13-25(40-3)24(15-19)33-34-28-20-11-9-8-10-18(20)14-21(29(28)36)30(37)32-23-16-22(31)26(41-4)17-27(23)42-5/h8-17,36H,6-7H2,1-5H3,(H,32,37)
(3)Std. InChIKey: LMULDSDQRQVZMW-UHFFFAOYSA-N