3-Cyanobenzene-1-sulfonyl chloride

The 3-Cyanobenzenesulfonyl chloride, with the CAS registry number 56542-67-7, is also called 3-Cyanobenzenesulphonyl chloride. It is a kind of moisture chemical, and belongs to the following product categories: Phenyls & Phenyl-Het; Sulphonyl Chlorides; Benzenesulfonyl chloride; Phenyls & Phenyl-Het; Sulphonyl Chlorides; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. And the molecular formula of this chemical is C₇H₄ClNO₂S.

The physical properties of 3-Cyanobenzenesulfonyl chloride are as following: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.807; (4)ACD/LogD (pH 7.4): 0.807; (5)ACD/BCF (pH 5.5): 2.419; (6)ACD/BCF (pH 7.4): 2.419; (7)ACD/KOC (pH 5.5): 65.497; (8)ACD/KOC (pH 7.4): 65.497; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.31 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 44.968 cm³; (15)Molar Volume: 131.384 cm³; (16)Polarizability: 17.827×10^-24cm³; (17)Surface Tension: 62.789 dyne/cm; (18)Density: 1.535 g/cm³; (19)Flash Point: 151.413 °C; (20)Enthalpy of Vaporization: 56.898 kJ/mol; (21)Boiling Point: 326.749 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed, and may cause burns and sensitization by skin contact. 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; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc(c1)S(=O)(=O)Cl)C#N
(2)InChI: InChI=1/C7H4ClNO2S/c8-12(10,11)7-3-1-2-6(4-7)5-9/h1-4H
(3)InChIKey: BHNRGBRMCNHNQD-UHFFFAOYAH