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| CAS No.: | 6448-95-9 |
|---|---|
| Name: | Pigment Red 22 |
| Molecular Structure: | |
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| Formula: | C24H18N4O4 |
| Molecular Weight: | 426.431 |
| Synonyms: | 2-Naphthalenecarboxamide,3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-phenyl- (9CI);C.I. Pigment Red 22(7CI,8CI);Brilliant Fast Scarlet FBT;C.I. 12315;Carnation Red Toner Y;Devil'sred;Kiwa Fast Brilliant Scarlet;Lake Scarlet FS;Naftol Red Bright;Naphthol Red;Naphthol Red Light 10454;Naphthol Red Y 20-7511;Polymo Red FG;Print Scarlet (Pulp) MT 6645;Red 404;Sanyo Brilliant Fast Scarlet;Sparta Red X2593;Symuler Fast Brilliant Scarlet BG; |
| EINECS: | 229-245-3 |
| Density: | 1.34 g/cm3 |
| Boiling Point: | 622.6 °C at 760 mmHg |
| Flash Point: | 330.3 °C |
| PSA: | 119.87000 |
| LogP: | 7.02590 |
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Specification
The Pigment red 22, with the CAS registry number 6448-95-9 and EINECS registry number 229-245-3, has the IUPAC name and systematic name of 3-hydroxy-4-(2-methyl-5-nitro-phenyl)azo-N-phenyl-naphthalene-2-carboxamide. It belongs to the following product categories: Dyes and Pigments; Organics. And the molecular formula of the chemical is C24H18N4O4. What's more, it is organic dye used in red tattoos.
The physical properties of Pigment red 22 are as followings: (1)ACD/LogP: 6.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.45; (4)ACD/LogD (pH 7.4): 6.45; (5)#H bond acceptors: 8; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 119.87 Å2; (9)Index of Refraction: 1.674; (10)Molar Refractivity: 119.3 cm3; (11)Molar Volume: 317.7 cm3; (12)Polarizability: 47.29×10-24cm3; (13)Surface Tension: 56.3 dyne/cm; (14)Density: 1.34 g/cm3; (15)Flash Point: 330.3 °C; (16)Enthalpy of Vaporization: 95.61 kJ/mol; (17)Boiling Point: 622.6 °C at 760 mmHg; (18)Vapour Pressure: 4.28E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c4cc(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1)c2O)c(C)cc4
(2)InChI: InChI=1/C24H18N4O4/c1-15-11-12-18(28(31)32)14-21(15)26-27-22-19-10-6-5-7-16(19)13-20(23(22)29)24(30)25-17-8-3-2-4-9-17/h2-14,29H,1H3,(H,25,30)
(3)InChIKey: XYZMEPHFXJHGIX-UHFFFAOYAI