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The 1-Nitro-2-naphthol, with CAS registry number 550-60-7, has the systematic name of 1-nitronaphthalen-2-ol. Besides this, it is also called 1-Nitro-2-naphthol. Its classification code is Mutation data. And the chemical formula of this chemical is C10H7NO3. The main use of this chemical is for the intermediate of organic synthesis. What's more, its EINECS is 208-984-5.
Physical properties of 1-Nitro-2-naphthol: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 87.06; (6)ACD/BCF (pH 7.4): 7.45; (7)ACD/KOC (pH 5.5): 816.36; (8)ACD/KOC (pH 7.4): 69.82; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.714; (14)Molar Refractivity: 52.52 cm3; (15)Molar Volume: 133.8 cm3; (16)Polarizability: 20.82×10-24cm3; (17)Surface Tension: 66.1 dyne/cm; (18)Density: 1.413 g/cm3; (19)Flash Point: 144.3 °C; (20)Enthalpy of Vaporization: 59 kJ/mol; (21)Boiling Point: 325.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000122 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-nitro-naphthalene. This reaction will need reagent sodium hydroxide. The reaction temperature is 50 - 60 ℃.
When you are using this chemical, please be cautious about it as the following:
The 1-Nitro-2-naphthol irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c2c(ccc1O)cccc2
(2)InChI: InChI=1/C10H7NO3/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,12H
(3)InChIKey: SSHIVHKMGVBXTJ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H7NO3/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,12H
(5)Std. InChIKey: SSHIVHKMGVBXTJ-UHFFFAOYSA-N