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CAS No.: | 145758-05-0 |
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Name: | 3,4-DIFLUOROBENZENESULFONYL CHLORIDE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | F2C6H3SO2Cl |
Molecular Weight: | 212.604 |
Synonyms: | 3,4-Difluorophenylsulfonyl chloride;3,4-difluorobenzenesulfonyl chloride;3,4-Difluorobenzenesulphonyl chloride;Benzenesulfonyl chloride, 3,4-difluoro-; |
Density: | 1.58 g/cm3 |
Boiling Point: | 258.1 °C at 760 mmHg |
Flash Point: | 109.9 °C |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 3265 8/PG 2 |
PSA: | 42.52000 |
LogP: | 2.97310 |
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The 3,4-Difluorobenzenesulfonyl chloride, with the CAS registry number 145758-05-0, is a kind of moisture sensitive chemical, and belongs to the following product categories: Sulfonyl halide; Aromatic Halides (substituted); Benzenesulfonyl chloride; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. Besides, the molecular formula of this chemical is F2C6H3SO2Cl.
The physical properties of 3,4-Difluorobenzenesulfonyl chloride are as following: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 58.89; (6)ACD/BCF (pH 7.4): 58.89; (7)ACD/KOC (pH 5.5): 643.62; (8)ACD/KOC (pH 7.4): 643.62; (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: 109.9 °C; (20)Enthalpy of Vaporization: 47.57 kJ/mol; (21)Boiling Point: 258.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0226 mmHg at 25°C.
Preparation of 3,4-Difluorobenzenesulfonyl chloride: This chemical can be prepared by 1,2-difluoro-benzene. The reaction will need reagent chlorosulfonic acid. The reaction time is 0.5 hours with temperature of 80°C.
Uses of 3,4-Difluorobenzenesulfonyl chloride: It can be used to produce 3,4-difluorobenzenesulfonamide. This reaction will need reagents conc. NH4OH with 0.5 hours.
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: Fc1ccc(cc1F)S(Cl)(=O)=O
(2)InChI: InChI=1/C6H3ClF2O2S/c7-12(10,11)4-1-2-5(8)6(9)3-4/h1-3H
(3)InChIKey: FSGLUBQENACWCC-UHFFFAOYAX