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
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