Naphth[1,8-cd]-1,2-oxathiole,2,2-dioxide (83-31-8)

The 1,8-Naphthosultone, with the CAS registry number 83-31-8 and EINECS registry number 201-468-0, has the systematic name of naphtho[1,8-cd][1,2]oxathiole 2,2-dioxide. It belongs to the product category of Intermediates of Dyes and Pigments. And the molecular formula of the chemical is C₁₀H₆O₃S.

The characteristics of 1,8-Naphthosultone are as followings: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.335; (4)ACD/LogD (pH 7.4): 2.335; (5)ACD/BCF (pH 5.5): 35.039; (6)ACD/BCF (pH 7.4): 35.039; (7)ACD/KOC (pH 5.5): 443.822; (8)ACD/KOC (pH 7.4): 443.822; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.75 Ų; (13)Index of Refraction: 1.729; (14)Molar Refractivity: 52.817 cm³; (15)Molar Volume: 132.519 cm³; (16)Polarizability: 20.938×10^-24cm³; (17)Surface Tension: 63.727 dyne/cm; (18)Density: 1.556 g/cm³; (19)Flash Point: 207.521 °C; (20)Enthalpy of Vaporization: 64.714 kJ/mol; (21)Boiling Point: 419.524 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation of 1,8-Naphthosultone: This chemical can be prepared by 8-amino-naphthalene-1-sulfonic acid. The reaction will need reagent NaNO₂ and aq. HCl, and the menstruum H₂O. The reaction time is 1 hour with heating, and the yield is about 92%.

Uses of 1,8-Naphthosultone: It can be used to produce naphth[1,8-cd][1,2]oxathiol-2,2-dioxide. This reaction will need reagent potassium hydroxide and sodium hydroxide. The reaction time is 30 minutes with temperature of 225°C, and the yield is about 83%.

You should be cautious while dealing with this chemical. It irritates to skin. Therefore, you had better take the following instructions: Do not breathe dust, and after contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc2cccc3c2c(c1)OS3(=O)=O
(2)InChI: InChI=1/C10H6O3S/c11-14(12)9-6-2-4-7-3-1-5-8(13-14)10(7)9/h1-6H
(3)InChIKey: IEIADDVJUYQKAZ-UHFFFAOYAW