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Basic Information
CAS No.: 56447-54-2
Name: 4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid
Article Data: 3
Molecular Structure:
Molecular Structure of 56447-54-2 (4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid)
Formula: C7H3Cl2FO4S
Molecular Weight: 273.069
Synonyms: 3-Chlorosulfonyl-4-chloro-6-fluorobenzoicacid;4-Chloro-5-chlorosulfonyl-2-fluorobenzoic acid;
Density: 1.764 g/cm3
Boiling Point: 427 °C at 760 mmHg
Flash Point: 212 °C
PSA: 79.82000
LogP: 3.18560
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Chemistry


Systematic Name: 4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid 
SMILES: O=S(Cl)(=O)c1cc(c(F)cc1Cl)C(=O)O 
InChI: InChI=1/C7H3Cl2FO4S/c8-4-2-5(10)3(7(11)12)1-6(4)15(9,13)14/h1-2H,(H,11,12) 
InChIKey: YMIBTQKARVYVLX-UHFFFAOYAS
Empirical Formula: C7H3Cl2FO4S
Molecular Weight: 273.0657
Nominal Mass: 272
Average Mass: 273.0657
Monoisotopic Mass: 271.911312 
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 2
Index of Refraction: 1.581
Molar Refractivity: 51.61 cm3
Molar Volume: 154.7 cm3
Surface Tension: 57.9 dyne/cm
Density: 1.764 g/cm3
Flash Point: 212 °C
Enthalpy of Vaporization: 71.88 kJ/mol
Boiling Point: 427 °C at 760 mmHg
Vapour Pressure: 4.75E-08 mmHg at 25 °C
Product Categories of 4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid (CAS NO.56447-54-2): Fluorobenzene; Benzoic acid

Specification

  4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid (CAS NO.56447-54-2), its Synonyms are Benzoic acid, 4-chloro-5-(chlorosulfonyl)-2-fluoro- ; 4-Chloro-2-fluoro-5-(chlorosulfonyl)benzoic acid ; 4-Chloro-5-chlorosulfonyl-2-fluorobenzoic acid .