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54090-08-3

Basic Information
CAS No.: 54090-08-3
Name: 2-CHLORO-5-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 54090-08-3 (2-CHLORO-5-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE)
Formula: C7H3Cl2F3O2S
Molecular Weight: 279.067
Synonyms: 2-Chloro-5-(trifluoromethyl)benzenesulfonylchloride;3-Trifluoromethyl-6-chlorobenzenesulfonyl chloride;
Density: 1.626 g/cm3
Boiling Point: 295.2 °C at 760 mmHg
Flash Point: 132.3 °C
Appearance: clear light yellow to yellow liquid
Hazard Symbols: CorrosiveC
Risk Codes: 34
Safety: 26-36/37/39-45
PSA: 42.52000
LogP: 4.36710
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Specification

The Benzenesulfonylchloride, 2-chloro-5-(trifluoromethyl)-, with the CAS registry number 54090-08-3, is also known as 2-Chloro-5-(trifluoromethyl)benzenesulphonyl chloride. It belongs to the product categories of Phenyls & Phenyl-Het; Sulphonyl Chlorides; Benzenesulfonyl Chloride; Phenyls & Phenyl-Het; Sulphonyl Chlorides. This chemical's molecular formula is C7H3Cl2F3O2S and molecular weight is 279.06. Its systematic name is called 2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride. This chemical is clear light yellow to yellow liquid.

Physical properties of Benzenesulfonylchloride, 2-chloro-5-(trifluoromethyl)-: (1)ACD/LogP: 3.32; (2)ACD/LogD (pH 5.5): 3.32; (3)ACD/LogD (pH 7.4): 3.32; (4)ACD/BCF (pH 5.5): 194.88; (5)ACD/BCF (pH 7.4): 194.88; (6)ACD/KOC (pH 5.5): 1515.76; (7)ACD/KOC (pH 7.4): 1515.76; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.497; (11)Molar Refractivity: 50.21 cm3; (12)Molar Volume: 171.5 cm3; (13)Surface Tension: 36.3 dyne/cm; (14)Density: 1.626 g/cm3; (15)Flash Point: 132.3 °C; (16)Enthalpy of Vaporization: 51.35 kJ/mol; (17)Boiling Point: 295.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00273 mmHg at 25°C.

Uses of Benzenesulfonylchloride, 2-chloro-5-(trifluoromethyl)-: it can be used to produce 2-chloro-5-trifluoromethyl-benzenesulfonamide. This reaction will need reagent aq. NH3.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may causes burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1cc(ccc1Cl)C(F)(F)F
(2)InChI: InChI=1/C7H3Cl2F3O2S/c8-5-2-1-4(7(10,11)12)3-6(5)15(9,13)14/h1-3H
(3)InChIKey: ZEYKLMDPUOVUCR-UHFFFAOYAN