The Pigment Red 38, with the CAS registry number 6358-87-8, is also known as Benzidine Red. It belongs to the product category of Organics. Its EINECS number is 228-788-3. This chemical's molecular formula is C36H28Cl2N8O6 and molecular weight is 739.56. What's more, its systematic name is Diethyl 4,4'-[(3,3'-dichloro-4,4'-biphenyldiyl)di-2,1-diazenediyl]bis(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate).
Physical properties of Pigment Red 38 are: (1)ACD/LogP: 5.851; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 5.85; (4)ACD/LogD (pH 7.4): 5.85; (5)ACD/BCF (pH 5.5): 16481.15; (6)ACD/BCF (pH 7.4): 16481.15; (7)ACD/KOC (pH 5.5): 36316.73; (8)ACD/KOC (pH 7.4): 36316.73; (9)#H bond acceptors: 14; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 167.38 Å2; (13)Index of Refraction: 1.69; (14)Molar Refractivity: 194.425 cm3; (15)Molar Volume: 508.135 cm3; (16)Polarizability: 77.076×10-24cm3; (17)Surface Tension: 58.625 dyne/cm; (18)Density: 1.455 g/cm3; (19)Flash Point: 449.422 °C; (20)Enthalpy of Vaporization: 119.11 kJ/mol; (21)Boiling Point: 819.507 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
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
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