4-(FLUOROSULFONYL)BENZOYL CHLORIDE

The Benzoyl chloride,4-(fluorosulfonyl)-, with the CAS registry number 402-55-1, is also known as 4-(Fluorosulphonyl)benzoyl chloride. It belongs to the product categories of Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. Its EINECS registry number is 206-949-9. This chemical's molecular formula is C₇H₄ClFO₃S and molecular weight is 222.621. What's more, its IUPAC name is called 4-Fluorosulfonylbenzoyl chloride.

Physical properties about Benzoyl chloride,4-(fluorosulfonyl)- are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 69.11; (6)ACD/BCF (pH 7.4): 69.11; (7)ACD/KOC (pH 5.5): 721.73; (8)ACD/KOC (pH 7.4): 721.73; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 59.59 Ų; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 45.26 cm³; (15)Molar Volume: 146.5 cm³; (16)Polarizability: 17.94×10^-24cm³; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.518 g/cm³; (19)Flash Point: 130.7 °C; (20)Enthalpy of Vaporization: 52.46 kJ/mol; (21)Boiling Point: 285.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00279 mmHg at 25 °C.

Use of Benzoyl chloride,4-(fluorosulfonyl)-: it is used to produce other chemicals. For example, it is used to produce 5'-deoxy-5'-[4-(fluorosulfonyl)benzamido]thymidine. The reaction occurs with reagent N,N-diisopropylethylamine and other condition of heating for 4 hours. The yield is 88 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it may destroy living tissue on contact. In addition, this chemical may cause burns. What's more, it irritates to eyes and respiratory system. During using it, 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. Besides, in case of accident or if you feel unwell seek medical advice immediately (show the label where possible). In addition, it must be stored in airtight containers and placed in a dry, ventilated place.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(F)(=O)c1ccc(C(Cl)=O)cc1
(2) InChI: InChI=1/C7H4ClFO3S/c8-7(10)5-1-3-6(4-2-5)13(9,11)12/h1-4H
(3) InChIKey: JMTAYFNTRRLWQG-UHFFFAOYAR