N-(Trifluoromethanesulfonyl)trifluoroacetamide - ≥98%(GC) , CAS No.151198-85-5

CAS: 151198-85-5 Cat. No.: N159251 Molecular Weight: 245.1 EC Number: 691-531-2

GRADE & PURITY ≥98%(GC)

Synonyms

2,2,2-trifluoro-n-(trifluoromethylsulfonyl)acetamide | N-(Trifluoromethanesulfonyl)trifluoroacetamide | MFCD08276424 | 2,2,2-Trifluoro-N-((trifluoromethyl)sulfonyl)acetamide | T71817 | DTXSID40478087 | SCHEMBL319638 | T2088 | CFYBHDCZEADVJH-UHFFFAOYSA-N |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2, 2, 2-trifluoro-n-(trifluoromethylsulfonyl)acetamide | N-(Trifluoromethanesulfonyl)trifluoroacetamide | MFCD08276424 | 2, 2, 2-Trifluoro-N-((trifluoromethyl)sulfonyl)acetamide | T71817 | DTXSID40478087 | SCHEMBL319638 | T2088 | CFYBHDCZEADVJH-UHFFFAOYSA-N |

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: C(=O)(C(F)(F)F)NS(=O)(=O)C(F)(F)F
• IUPAC Name: 2,2,2-trifluoro-N-(trifluoromethylsulfonyl)acetamide
• InChIKey: CFYBHDCZEADVJH-UHFFFAOYSA-N
• INCHI: 1S/C3HF6NO3S/c4-2(5,6)1(11)10-14(12,13)3(7,8)9/h(H,10,11)
• Isomeric SMILES: C(=O)(C(F)(F)F)NS(=O)(=O)C(F)(F)F
• Molecular Weight: 245.1
• Reaxy-Rn: 7708670
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7708670&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids and derivatives
• Alternative Parents: Aminosulfonyl compounds Trihalomethanes Carboxylic acids and derivatives Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Trihalomethane - Carboxylic acid derivative - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acids and derivatives. These are compounds containing a sulfonic acid or derivative, with the general structure RS(=O)2X (R=alkyl, aryl; X=any heteroatom).
• 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

• Solubility: Soluble in water
• Sensitivity: Moisture Sensitive,Heat Sensitive
• Melt Point(°C): 45 °C
• Molecular Weight: 245.100 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 244.958 Da
• Monoisotopic Mass: 244.958 Da
• Topological Polar Surface Area: 71.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 320.000
• 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