1-Hexanesulfonylchl...

1-Hexanesulfonylchloride, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-(CAS No. 55591-23-6)

1-Hexanesulfonylchloride, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-(CAS No. 55591-23-6)

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Keywords

1-Hexanesulfonylchloride, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro- 55591-23-6 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
1-Hexanesulfonylchloride, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-
【Iupac name】
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl chloride
【CAS Registry number】
55591-23-6
【Synonyms】
NSC 292151
Perfluorohexanesulfonyl chloride
Perfluorohexylsulfonyl chloride
【EINECS(EC#)】
259-717-4
【Molecular Formula】
C6Cl F13 O2 S (Products with the same molecular formula)
【Molecular Weight】
418.5602416
【Inchi】
InChI=1/C6ClF13O2S/c7-23(21,22)6(19,20)4(14,15)2(10,11)1(8,9)3(12,13)5(16,17)18
【Canonical SMILES】
C(C(C(C(F)(F)S(=O)(=O)Cl)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
【MOL File】
55591-23-6.mol
Chemical and Physical Properties
【Density】
1.811g/cm3
【Boiling Point】
150.9°Cat760mmHg
【Refractive Index】
1.314
【Flash Point】
45.1°C
【Computed Properties】
Molecular Weight:418.560242 [g/mol]
Molecular Formula:C6ClF13O2S
XLogP3-AA:5
H-Bond Donor:0
H-Bond Acceptor:15
Rotatable Bond Count:5
Exact Mass:417.909994
MonoIsotopic Mass:417.909994
Topological Polar Surface Area:42.5
Heavy Atom Count:23
Formal Charge:0
Complexity:556
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Effective Rotor Count:6
Conformer Sampling RMSD:0.8
CID Conformer Count:111

 

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