2,4,5-TRICHLOROBENZENESULFONYL CHLORIDE

The Benzenesulfonylchloride, 2,4,5-trichloro- is an organic compound with the formula C₆H₂Cl₄O₂S. The IUPAC name of this chemical is 2,4,5-Trichlorobenzenesulfonyl chloride. With the CAS registry number 15945-07-0, it is also named as 2,4,5-Trichlorobenzene-1-sulfonyl chloride. The product's categories are Benzenesulfonyl Chloride; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. Besides, it is white or cream solid, which should be stored in a sealed, dry, lightproof, well-ventilated place.

Physical properties about Benzenesulfonylchloride, 2,4,5-trichloro- are: (1)ACD/LogP: 3.98; (2)ACD/LogD (pH 5.5): 3.98; (3)ACD/LogD (pH 7.4): 3.98; (4)ACD/BCF (pH 5.5): 620.39; (5)ACD/BCF (pH 7.4): 620.39; (6)ACD/KOC (pH 5.5): 3472.08; (7)ACD/KOC (pH 7.4): 3472.08; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 42.52 Å²; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 54.88 cm³; (13)Molar Volume: 161.9 cm³; (14)Polarizability: 21.75×10^-24 cm³; (15)Surface Tension: 51.3 dyne/cm; (16)Density: 1.728 g/cm³; (17)Flash Point: 162.4 °C; (18)Enthalpy of Vaporization: 56.57 kJ/mol; (19)Boiling Point: 345 °C at 760 mmHg; (20)Vapour Pressure: 0.000127 mmHg at 25 °C.

Uses of Benzenesulfonylchloride, 2,4,5-trichloro-: it can be used to produce 2,4,5-Trichloro-benzenethiol. It will need reagents I₂; red P, and solvent acetic acid with reaction time of 5 hours. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
It causes burns and reacts violently with water. When you are using it, keep container dry and take off immediately all contaminated clothing, and wear suitable protective clothing, gloves and eye/face protection. In case of contact 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)InChI: InChI=1/C6H2Cl4O2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H
(2)InChIKey: WNVVRCKTQSCPAC-UHFFFAOYAF
(3)Std. InChI: InChI=1S/C6H2Cl4O2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H
(4)Std. InChIKey: WNVVRCKTQSCPAC-UHFFFAOYSA-N