5,8-Dihydroxy-1,4-naphthoquinone

This chemical is called 5,8-Dihydroxy-1,4-naphthoquinone, and its IUPAC name is 5,8-dihydroxynaphthalene-1,4-dione. With the CAS number 475-38-7, its molecular formula is C₁₀H₆O_4. Usually it is dark purple to brown-black powder, and used for making naphthalene-1,4,5,8-tetraone, 2,5,8-triacetoxy-[1,4]naphthoquinone, 1,4-Dihydroxy-5,8-methano-5,8,8a,10-tetrahydro-9,10-anthrachinon, N-(5,8-dihydroxy-1,4-naphthoquinone-2-yl)piperidine and so on. It is harmful, so you should be careful when you use it.

Other characteristics can be summarised as following: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 13.82; (6)ACD/BCF (pH 7.4): 3.71; (7)ACD/KOC (pH 5.5): 225.88; (8)ACD/KOC (pH 7.4): 60.72; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.71; (14) Molar Refractivity: 46.66 cm³; (15)Molar Volume: 119.4 cm³; (16)Polarizability: 18.5×10^-24cm³; (17)Surface Tension: 83.5; (18)dyne/cm Density: 1.592 g/cm³; (19)Flash Point: 269.2 °C Enthalpy of Vaporization: 79.53 kJ/mol; (20)Boiling Point: 498.2 °C at 760 mmHg; (21)Vapour Pressure: 1.51E-10 mmHg at 25°C.

Preparation of this chemical: With the acetic acid anhydride and 5,8-dihydroxy-[1,4]naphthoquinone, the reagent of sodium acetate, the 5,8-Dihydroxy-1,4-naphthoquinone would be made.



When you are using this chemical, you should be cautious about it. As it is irritating to eyes, respiratory system and skin, do not breathe dust and avoid contacting with skin and eyes. When you are using it, please wear suitable gloves and eye/face protection. In case of contacting with eyes, please rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2c1c(O)ccc(O)c1C(=O)/C=C/2CopyCopied
(2)InChI: InChI=1/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H
(3)InChIKey: RQNVIKXOOKXAJQ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H
(5)Std. InChIKey: RQNVIKXOOKXAJQ-UHFFFAOYSA-N