Pigment Red 122

The Pigment red 122, with the CAS registry number 16043-40-6, has the systematic name of 3,10-dimethyl-5,12-dihydroquino[2,3-b]acridine-7,14-dione. It is a kind of red powder with bright blue light, and the molecular formula of the chemical is C₂₂H₁₆N₂O₂.

The physical properties of Pigment red 122 are as followings: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.45; (4)ACD/LogD (pH 7.4): 3.45; (5)ACD/BCF (pH 5.5): 246.18; (6)ACD/BCF (pH 7.4): 246.18; (7)ACD/KOC (pH 5.5): 1791.71; (8)ACD/KOC (pH 7.4): 1791.71; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.62 Å²; (13)Index of Refraction: 1.676; (14)Molar Refractivity: 97.94 cm³; (15)Molar Volume: 260.3 cm³; (16)Polarizability: 38.82×10^-24cm³; (17)Surface Tension: 54.3 dyne/cm; (18)Density: 1.307 g/cm³; (19)Flash Point: 218.6 °C; (20)Enthalpy of Vaporization: 88.74 kJ/mol; (21)Boiling Point: 595.5 °C at 760 mmHg; (22)Vapour Pressure: 3.79E-14 mmHg at 25°C.

Preparation and uses of Pigment red 122: It can be prepared by paraxylene with a series of bromination and oxidation, and then reacts with amine and closed loop, you can get the product. What's more, it is always used for the pigmentation of ink, paint, high-grade plastic resin, pigment printing and soft plastic products.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4c5ccc(cc5Nc3cc2C(=O)c1c(cc(cc1)C)Nc2cc34)C
(2)InChI: InChI=1/C22H16N2O2/c1-11-3-5-13-17(7-11)23-19-9-16-20(10-15(19)21(13)25)24-18-8-12(2)4-6-14(18)22(16)26/h3-10H,1-2H3,(H,23,25)(H,24,26)
(3)InChIKey: SMNAVTCHDQBEEJ-UHFFFAOYAG