N-Ethyl-N-(2-hydroxyethyl)perfluorooctylsulphonamide - ≥90% , CAS No.1691-99-2

CAS: 1691-99-2 Cat. No.: N343934 Molecular Weight: 571.26 EC Number: 216-887-4

GRADE & PURITY ≥90%

Synonyms

N-Ethyl-N-2-hydroxyethyl perfluorooctansulfulfonamide | DTXSID7022170 | N-ethyl perfluorooctanesulfonamido ethanol, n=8 | SUTAN | N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8- heptadecafluoro-N-(2-hydroxyethyl)octane-1- sulfonamide | N-ethyl FOSE | N-ethyl P

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads,FedEx DG Service

Specifications

Synonyms

N-Ethyl-N-2-hydroxyethyl perfluorooctansulfulfonamide | DTXSID7022170 | N-ethyl perfluorooctanesulfonamido ethanol, n=8 | SUTAN | N-ethyl-1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-N-(2-hydroxyethyl)octane-1- sulfonamide | N-ethyl FOSE | N-ethyl P

Specifications & Purity

≥90%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads, FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥90%

Names and Identifiers

• Canonical Smiles: CCN(CCO)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• IUPAC Name: N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide
• InChIKey: HUFHNYZNTFSKCT-UHFFFAOYSA-N
• INCHI: 1S/C12H10F17NO3S/c1-2-30(3-4-31)34(32,33)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h31H,2-4H2,1H3
• Isomeric SMILES: CCN(CCO)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• UN Number: 3077
• Packing Group: Ⅲ
• Molecular Weight: 571.26
• Reaxy-Rn: 1811037
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1811037&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Alkyl halides
      • Subclass Alkyl fluorides
        • Level5 Perfluoroalkyl sulfonic acid and derivatives
          • Level6 Perfluorooctane sulfonic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Alkyl halides
• Subclass: Alkyl fluorides
• Intermediate Tree Nodes: Perfluoroalkyl sulfonic acid and derivatives
• Direct Parent: Perfluorooctane sulfonic acid and derivatives
• Alternative Parents: Perfluoroalkane sulfonamidoethanols Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Alkanolamines Primary alcohols Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Perfluorooctane sulfonic acid or derivatives - Perfluoroalkane sulfonamidoethanol - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Alkanolamine - Organic oxygen compound - Organic nitrogen compound - Alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as perfluorooctane sulfonic acid and derivatives. These are organic compounds containing an octyl chain attached to the sulfur of a sulfonic acid (or a derivative thereof), where all hydrogens of the octyl chain are replaced by fluorine atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Refractive Index: n20D1.35 (Predicted)
• Boil Point(°C): 115-120° C
• Melt Point(°C): 55-65° C
• Molecular Weight: 571.250 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 11
• Exact Mass: 571.011 Da
• Monoisotopic Mass: 571.011 Da
• Topological Polar Surface Area: 66.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 830.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1