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Perfluorohexane Sulphonyl Fluoride

CAT: 0572-TRC-P999250-2.5GSize: 2.5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-P999250-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
423-50-7
Synonyms
1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonyl Fluoride; 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonyl Fluoride; Perfluoro-1-hexanesulfonyl Fluoride; Perfluorohexanesulfonyl Fluoride; Perfluorohexylsulfonyl Fluoride; Tridecafluorohexanesulfonyl Fluoride
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN3265; Packing Group: II
Smiles
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F
Molecular Formula
C6F14O2S
Molecular Weight
402.11
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1-Hexanesulfonyl fluoride, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-
CAS Number423-50-7
PubChem CID67918
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl fluoride
Molecular FormulaC6F14O2S
Molecular Weight402.11
XLogP4.7
Topological Polar Surface Area42.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count16
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity551
SMILES
C(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6F14O2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22
InChIKey
HSDJWNJDPDJOEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Hexanesulfonyl fluoride, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-
CAS: 423-50-7
CID: 67918
Formula: C6F14O2S
MW: 402.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.11
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count16
Rotatable Bond Count5
Exact Mass401.9395447
Monoisotopic Mass401.9395447
Topological Polar Surface Area42.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity551
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-500807Pyridine-2-sulphonyl fluoride
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