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| CAS No.: | 135-65-9 |
|---|---|
| Name: | 3-Hydroxy-N-(3-nitrophenyl)-2-naphthalenecarboxamide |
| Molecular Structure: | |
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| Formula: | C17H12N2O4 |
| Molecular Weight: | 308.293 |
| Synonyms: | 2-Hydroxy-3-Naphthoyl-m-Nitroaniline;C.I. 37515;2-Naphthalenecarboxamide, 3-hydroxy-N- (3-nitrophenyl)-;2-Naphthalenecarboxamide,3-hydroxy-N-(3- nitrophenyl)-;Naphtol AS-BS Supra;Azonaphtol MNA;Tulathol AS-BS;2-Hydroxy-3-Naphthooyl-M-Nitroaniline;3-Hydroxy-3'-nitro-2-naphthanilide;Celcot RM;Solunaptol MNL;Naftolo MBS;3-Hydroxy-3-nitro-2-naphthanilide;Naphtazol B;Naptanilide BS Supra;Brenthol MN;Azotol NMA;Mitsui Naphthozol BS;Acna Naphthol M;Daito Grounder BS;Naphthol AS-BS Supra;Dragonthol BS;Naphtol AS-BS;2-Naphthanilide, 3-hydroxy-3-nitro- (8CI);2-Naphthanilide, 3-hydroxy-3-nitro-;Naphtoelan BS;Amanil Naphthol AS-BS;Diathol BS;Hiltonaphthol AS-BS;2-Naphthalenecarboxamide, 3-hydroxy-N-(3-nitrophenyl)-; |
| EINECS: | 205-209-2 |
| Density: | 1.449 g/cm3 |
| Melting Point: | 246-247 °C |
| Boiling Point: | 448 °C at 760 mmHg |
| Flash Point: | 224.7 °C |
| Solubility: | Soluble in acetic acid |
| Appearance: | yellow to brown powder |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 36 |
| Safety: | 36-26 |
| PSA: | 95.15000 |
| LogP: | 4.30210 |
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Specification
The 3-Hydroxy-3'-nitro-2-naphthanilide, with the CAS registry number 135-65-9 and EINECS registry number 205-209-2, has the systematic name of 3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide. It belongs to the product categories of Intermediates of Dyes and Pigments. And the molecular formula of this chemical is C17H12N2O4.
The physical properties of 3-Hydroxy-3'-nitro-2-naphthanilide are as followings: (1)ACD/LogP: 4.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.89; (4)ACD/LogD (pH 7.4): 4.84; (5)ACD/BCF (pH 5.5): 3048.6; (6)ACD/BCF (pH 7.4): 2762.4; (7)ACD/KOC (pH 5.5): 10848.04; (8)ACD/KOC (pH 7.4): 9829.61; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 75.36 Å2; (13)Index of Refraction: 1.755; (14)Molar Refractivity: 87.09 cm3; (15)Molar Volume: 212.6 cm3; (16)Polarizability: 34.52×10-24cm3; (17)Surface Tension: 72.7 dyne/cm; (18)Density: 1.449 g/cm3; (19)Flash Point: 224.7 °C; (20)Enthalpy of Vaporization: 73.36 kJ/mol; (21)Boiling Point: 448 °C at 760 mmHg; (22)Vapour Pressure: 1.21E-08 mmHg at 25°C.
Preparation and uses of 3-Hydroxy-3'-nitro-2-naphthanilide: It can start with a condensation of 2,3-acid and m-nitroaniline in the presence of phosphorus trichloride, and then neutralization with sodium carbonate, distillation, filtration and drying. What's more, it is usually used as primer in cotton fabric printing and dyeing.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc(c1)NC(=O)c3cc2c(cccc2)cc3O
(2)InChI: InChI=1/C17H12N2O4/c20-16-9-12-5-2-1-4-11(12)8-15(16)17(21)18-13-6-3-7-14(10-13)19(22)23/h1-10,20H,(H,18,21)
(3)InChIKey: YZJSKRBKHCLMQC-UHFFFAOYAP