3-HYDROXY-1,8-NAPHTHALIC ANHYDRIDE

The 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione,5-hydroxy-, with the CAS registry number 23204-36-6, has the systematic name of 5-hydroxy-1H,3H-benzo[de]isochromene-1,3-dione. It belongs to the product categories of Intermediates of Dyes and Pigments. And the molecular formula of this chemical is C₁₂H₆O₄.

The physical properties of 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione,5-hydroxy- are as following: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02 ; (4) ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 3.48; (6)ACD/BCF (pH 7.4): 2.69; (7)ACD/KOC (pH 5.5): 84.89; (8)ACD/KOC (pH 7.4): 65.64; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.756; (14)Molar Refractivity: 55.4 cm³; (15)Molar Volume: 135.1 cm³; (16)Polarizability: 21.96×10^-24cm³; (17)Surface Tension: 79.3 dyne/cm; (18)Density: 1.585 g/cm³; (19)Flash Point: 210.8 °C; (20)Enthalpy of Vaporization: 80.94 kJ/mol; (21)Boiling Point: 509.4 °C at 760 mmHg; (22)Vapour Pressure: 5.36E-11 mmHg at 25°C.

Uses of 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione,5-hydroxy-: It can react with 2-pyrrolidin-1-yl-ethylamine to produce 5-hydroxy-2-(2-pyrrolidin-1-yl-ethyl)-benzo[de]isoquinoline-1,3-dione. This reaction will need solvent ethanol. The reaction time is 2 hours ambient temperature, and the yield is about 81%.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting 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=C3OC(=O)c2cc(O)cc1cccc3c12
(2)InChI: InChI=1/C12H6O4/c13-7-4-6-2-1-3-8-10(6)9(5-7)12(15)16-11(8)14/h1-5,13H
(3)InChIKey: FKVNZFAMXGMPOU-UHFFFAOYAQ