Benzenesulfonylchloride, 4-hydroxy-3-nitro- (147682-51-7)

The 4-Hydroxy-3-nitrobenzenesulfonyl chloride , with cas registry number of 147682-51-7, belongs to the categories of Sulfonylhalide. Both its IUPAC name and systematic name are the same which is called 4-Hydroxy-3-nitrobenzenesulfonyl chloride . It decomposes very exothermically at 24°C. Upon decomposition it emits toxic fumes of Cl⁻ , SO_x, and NO_x.

Physical properties of 4-Hydroxy-3-nitrobenzenesulfonyl chloride are: (1) ACD/LogP: 2.44 ; (2) # of Rule of 5 Violations: 0 ; (3) #H bond acceptors: 6 ; (4) #H bond donors: 1 ; (5) #Freely Rotating Bonds: 3 ; (6) Index of Refraction: 1.621 ; (7) Molar Refractivity: 47.96 cm³ ; (8) Molar Volume: 136.3 cm³ ; (9) Surface Tension: 70 dyne/cm ; (10) Density: 1.742 g/cm³ ; (11) Flash Point: 168.3 °C ; (12) Enthalpy of Vaporization: 62.34 kJ/mol ; (13) Boiling Point: 354.7 °C at 760 mmHg ; (14) Vapour Pressure: 1.61E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES:O=[N+]([O-])c1cc(ccc1O)S(Cl)(=O)=O;
(2) InChI:InChI=1/C6H4ClNO5S/c7-14(12,13)4-1-2-6(9)5(3-4)8(10)11/h1-3,9H;
(3) InChIKey:FRIDVSSBTNZNJD-UHFFFAOYAS