4-Fluorobenzenesulfonic acid supplier

Name
4-FLUOROBENZENESULFONIC ACID
EINECS 206-714-0
CAS No. 368-88-7
Article Data21
CAS DataBase
Density 1.513 g/cm³
Solubility 434.9g/L(21.3 oC)
Melting Point 87℃
Formula C₆H₅FO₃S
Boiling Point
Molecular Weight 176.168
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenesulfonicacid, p-fluoro- (6CI,7CI,8CI);Benzene-1-fluoro-4-sulfonic acid;NSC 43021;p-Fluorobenzenesulfonic acid;p-Fluorophenylsulfonic acid;
PSA 62.75000
LogP 2.15320

4-Fluorobenzenesulfonic acid Specification

The Benzenesulfonic acid,4-fluoro-, with the CAS registry number 368-88-7 and EINECS registry number 206-714-0, has the systematic name and IUPAC name of 4-fluorobenzenesulfonic acid. And the molecular formula of the chemical is C₆H₅FO₃S.

The characteristics of Benzenesulfonic acid,4-fluoro- are as followings: (1)ACD/LogP: 0.78; (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): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.75 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 37.21 cm³; (15)Molar Volume: 116.4 cm³; (16)Polarizability: 14.75×10^-24cm³; (17)Surface Tension: 48.7 dyne/cm; (18)Density: 1.513 g/cm³.

Preparation of Benzenesulfonic acid,4-fluoro-: This chemical can be prepared by 4-fluoro-benzenesulfonyl chloride. The reaction will need reagent aq. CH₃COOH. The reaction time is 2 hours with heating, and the yield is about 94%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(O)c1ccc(F)cc1
(2)InChI: InChI=1/C6H5FO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)
(3)InChIKey: WVSYONICNIDYBE-UHFFFAOYAG

Product Name

4-FLUOROBENZENESULFONIC ACID

4-Fluorobenzenesulfonic acid Specification

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