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| CAS No.: | 6535-46-2 |
|---|---|
| Name: | Pigment Red 112 |
| Molecular Structure: | |
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| Formula: | C24H16Cl3N3O2 |
| Molecular Weight: | 484.76 |
| Synonyms: | 2-Naphthalenecarboxamide,3-hydroxy-N-(2-methylphenyl)-4-[(2,4,5-trichlorophenyl)azo]- (9CI);C.I.Pigment Red 112 (7CI,8CI);C.I. 12370;Colanyl Red FGRX;Flexonyl RedFGR-LA;Helio Fast Red BBT;Irgalite Red3RS;Isol Aryl Red GR;KET Red 304;Luconyl Red 3855;Naphthol Red FGR;Permanent Red FGR;Permanent Red FGR 02;Permanent Red FGR 70;Pigment Red 112;RenolRed FGR-HW;Sanyo Permanent Red 1206;Sanyo PermanentRed FNG;Segnale Light Red FGR;Sico Fast Red L 3855;Special Red FGR;Unisperse Red 3RS-E2;Xfast Red 3855; |
| EINECS: | 229-440-3 |
| Density: | 1.42 g/cm3 |
| Boiling Point: | 627.4 °C at 760 mmHg |
| Flash Point: | 333.2 °C |
| Appearance: | Red powder with no odor |
| PSA: | 74.05000 |
| LogP: | 8.55470 |
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Specification
The Pigment red 112 is an organic conpound with the formula C24H16Cl3N3O2. The IUPAC name of this chemical is (4E)-N-(2-methylphenyl)-3-oxo-4-[(2,4,5-trichlorophenyl)hydrazinylidene]naphthalene-2-carboxamide. With the CAS registry number 6535-46-2,it is also named as 2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-4-((2,4,5-trichlorophenyl)azo)-; CI 12370. In addition, it is red powder which is used in offset ink, solvent ink, water-based ink, textile printing paste, etc.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 8.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.35; (4)ACD/LogD (pH 7.4): 8.35; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Index of Refraction: 1.672; (9)Molar Refractivity: 127.44 cm3; (10)Molar Volume: 340.3 cm3; (11)Polarizability: 50.52×10-24 cm3; (12)Surface Tension: 51.4 dyne/cm; (13)Enthalpy of Vaporization: 96.24 kJ/mol; (14)Boiling Point: 627.4 °C at 760 mmHg; (15)Vapour Pressure: 2.48E-16 mmHg at 25°C; (16)Rotatable Bond Count: 4; (17)Tautomer Count: 8; (18)Exact Mass: 483.03081; (19)MonoIsotopic Mass: 483.03081; (20)Topological Polar Surface Area: 70.6; (21)Heavy Atom Count: 32; (22)Complexity: 787; (23)Defined Bond StereoCenter Count: 1; (24)Covalently-Bonded Unit Count: 1.
People can use the following data to convert to the molecule structure.
1. SMILES: Clc4cc(N=Nc2c3ccccc3cc(C(=O)Nc1ccccc1C)c2O)c(Cl)cc4Cl;
2. InChI: InChI=1/C24H16Cl3N3O2/c1-13-6-2-5-9-20(13)28-24(32)16-10-14-7-3-4-8-15(14)22(23(16)31)30-29-21-12-18(26)17(25)11-19(21)27/h2-12,31H,1H3,(H,28,32).