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| CAS No.: | 2786-76-7 |
|---|---|
| Name: | Pigment Red 170 |
| Molecular Structure: | |
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| Formula: | C26H22N4O4 |
| Molecular Weight: | 454.48 |
| Synonyms: | 2-Naphthalenecarboxamide,4-[[4-(aminocarbonyl)phenyl]azo]-N-(2-ethoxyphenyl)-3-hydroxy- (9CI);2-Naphtho-o-phenetidide, 4-[(p-carbamoylphenyl)azo]-3-hydroxy- (7CI,8CI);C.I.12475;C.I. Pigment Red 170;Euderm Red;Fuji Fast Red 2200;Graphtol Red NFB;Hostaperm Red F 5RK;L 1/8 Red F 3RK70;Lysopac Red 7030C;Naphthol AS Red;Naphthol Red 3172;Naphtol Red B 7032C;Novoperm Red F 2RK70;Novoperm Red F2RK70N;Novoperm Red F 3RK;Novoperm Red F 3RK70;Novoperm Red F 5RK;NovopermRed F 6RK;PR 170;Permanent Red F 3RK;Permanent Red F 3RK70;Permanent Red F5RK;Pigment Red 170;Red F 5RK;Sanyo Brilliant Carmine 7009;Seikafast Red3820;Seikafast Red 3891;Suimei Fast Red ER;Sumitone Fast Red BRS;SunbriteRed 170; |
| EINECS: | 220-509-3 |
| Density: | 1.31 g/cm3 |
| Melting Point: | 37-39°C(lit.) |
| Boiling Point: | 663.2 °C at 760 mmHg |
| Flash Point: | 354.9 °C |
| PSA: | 126.37000 |
| LogP: | 6.48400 |
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Specification
The IUPAC name of C.I. Pigment Red 120 is (4E)-4-[(4-carbamoylphenyl)hydrazinylidene]-N-(2-ethoxyphenyl)-3-oxonaphthalene-2-carboxamide. With the CAS registry number 2786-76-7, it is also named as 2-Naphthalenecarboxamide, 4-((4-(aminocarbonyl)phenyl)azo)-N-(2-ethoxyphenyl)-3-hydroxy-; Permanent Red F 3RK70. The other registry numbers are 119509-90-9, 12236-67-8, 198292-71-6 and 63661-01-8. In addition, C.I. Pigment Red 120 is used in coloring ink, paint, plastic and rubber.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.41; (4)ACD/LogD (pH 7.4): 5.41; (5)ACD/BCF (pH 5.5): 7564.73; (6)ACD/BCF (pH 7.4): 7565.57; (7)ACD/KOC (pH 5.5): 20797.62; (8)ACD/KOC (pH 7.4): 20799.93; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.657; (13)Molar Refractivity: 127.01 cm3; (14)Molar Volume: 345 cm3; (15)Polarizability: 50.35×10-24 cm3; (16)Surface Tension: 53.7 dyne/cm; (17)Enthalpy of Vaporization: 101.07 kJ/mol; (18)Vapour Pressure: 3.4E-18 mmHg at 25°C; (19)Rotatable Bond Count: 7; (20)Tautomer Count: 22; (21)Exact Mass: 454.164105; (22)MonoIsotopic Mass: 454.164105; (23)Topological Polar Surface Area: 123; (24)Heavy Atom Count: 34; (25)Complexity: 831.
Preparation of C.I. Pigment Red 120 : Industrially, it can be obtained by converting p-aminobenzamide into the corresponding diazonium compound followed by diazotation with 3-hydroxy-2-naphththoic acid (2-ethoxy)anilide.
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People can use the following data to convert to the molecule structure.
1. SMILES: CCOc4ccccc4NC(=O)c3cc1ccccc1c(/N=N/c2ccc(cc2)C(N)=O)c3O;
2. InChI: InChI=1/C26H22N4O4/c1-2-34-22-10-6-5-9-21(22)28-26(33)20-15-17-7-3-4-8-19(17)23(24(20)31)30-29-18-13-11-16(12-14-18)25(27)32/h3-15,31H,2H2,1H3,(H2,27,32)(H,28,33)/b30-29+.