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13918-92-8

Basic Information
CAS No.: 13918-92-8
Name: Benzenesulfonylchloride, 2,4-difluoro-
Molecular Structure:
Molecular Structure of 13918-92-8 (Benzenesulfonylchloride, 2,4-difluoro-)
Formula: C6H3ClF2O2S
Molecular Weight: 212.6016
Synonyms: 2,4-Difluoro-1-benzenesulfonylchloride;2,4-Difluorobenzenesulfonyl chloride;2,4-Difluorophenylsulfonylchloride;
EINECS: 629-141-1
Density: 1.58 g/cm3
Melting Point:
Boiling Point: 245.4 °C at 760 mmHg
Flash Point: 102.2 °C
Solubility:
Appearance: clear colorless to light yellow liquid
Hazard Symbols:
Risk Codes: 34
Safety: 45-36/37/39-26
Transport Information: UN 3265
PSA: 42.52000
LogP: 2.97310
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Specification

The 2,4-Difluorobenzenesulfonyl chloride, with the CAS registry number 13918-92-8, is also called Benzenesulfonyl chloride, 2,4-difluoro-. And the molecular formula of this chemical is C6H3ClF2O2S. It is a kind of clear colorless to light yellow liquid, and belongs to the following product categories: Aromatic Halides (substituted); Benzenesulfonyl chloride; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds.
 
The physical properties of 2,4-Difluorobenzenesulfonyl chloride are as following: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.32; (6)ACD/BCF (pH 7.4): 25.32; (7)ACD/KOC (pH 5.5): 351.71; (8)ACD/KOC (pH 7.4): 351.71; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 40.62 cm3; (15)Molar Volume: 134.5 cm3; (16)Polarizability: 16.1×10-24cm3; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.58 g/cm3; (19)Flash Point: 102.2 °C; (20)Enthalpy of Vaporization: 46.29 kJ/mol; (21)Boiling Point: 245.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0451 mmHg at 25°C.

Uses of 2,4-Difluorobenzenesulfonyl chloride: It can react with but-3-yn-1-ol to produce 2,4-difluoro-benzenesulfonic acid but-3-ynyl ester. This reaction will need reagents DMAP and DIPEA, and the solvent CH2Cl2. The reaction time is 2 day with temperature of -10°C, and the yield is about 48%.

2,4-Difluorobenzenesulfonyl chloride can react with but-3-yn-1-ol to produce 2,4-difluoro-benzenesulfonic acid but-3-ynyl ester

You should be cautious while dealing with this chemical. It may cause burns. 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: O=S(Cl)(=O)c1ccc(F)cc1F
(2)InChI: InChI=1/C6H3ClF2O2S/c7-12(10,11)6-2-1-4(8)3-5(6)9/h1-3H
(3)InChIKey: FJSAJUXIHJIAMD-UHFFFAOYAQ