2,2-Difluoro-2-(fluorosulfonyl)acetic acid - ≥97% , CAS No.1717-59-5

CAS: 1717-59-5 Cat. No.: D122902 Molecular Weight: 178.09 Beilstein Registry Number: 2(4)1855 EC Number: 629-236-8

GRADE & PURITY ≥97%

Synonyms

2,2-difluoro-2-fluorosulfonylacetic acid | 2,2-difluoro-2-fluorosulfonyl-acetic Acid | AB09011 | (FLUOROSULFONYL)DIFLUOROACETIC ACID | MFCD01320807 | 2,2-difluoro-2-(fluorosulphonyl)acetic acid | difluoro(fluorosulfonyl)acetic acid | AS-11417 | C2HF3O4S |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Used in the preparation of silyl fluorosulfonyldifluoroacetate as new highly efficient difluorocarbene reagent for cyclopropanation of alkenes. Regio- and stereoselective free radical fluoroalkylation of terminal alkenes and alkynes with iododifluoromethanesulfonamides.

Specifications

Synonyms

2, 2-difluoro-2-fluorosulfonylacetic acid | 2, 2-difluoro-2-fluorosulfonyl-acetic Acid | AB09011 | (FLUOROSULFONYL)DIFLUOROACETIC ACID | MFCD01320807 | 2, 2-difluoro-2-(fluorosulphonyl)acetic acid | difluoro(fluorosulfonyl)acetic acid | AS-11417 | C2HF3O4S |

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C(=O)(C(F)(F)S(=O)(=O)F)O
• IUPAC Name: 2,2-difluoro-2-fluorosulfonylacetic acid
• InChIKey: VYDQUABHDFWIIX-UHFFFAOYSA-N
• INCHI: 1S/C2HF3O4S/c3-2(4,1(6)7)10(5,8)9/h(H,6,7)
• Isomeric SMILES: C(=O)(C(F)(F)S(=O)(=O)F)O
• WGK Germany: 3
• Molecular Weight: 178.09
• Beilstein: 2(4)1855
• Reaxy-Rn: 1812770
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1812770&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Sulfonyl halides
      • Subclass Sulfonyl fluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Sulfonyl halides
• Subclass: Sulfonyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonyl fluorides
• Alternative Parents: Sulfonyls Organosulfonic acids and derivatives Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl fluoride - Sulfonyl - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alkyl halide - Organosulfur compound - Organooxygen compound - Organofluoride - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfonyl fluorides. These are compounds containing a sulfonyl (R-S(=O)2-R') functional group singly bonded to a fluorine atom.
• 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: It is soluble in water
• Sensitivity: Moisture and heat sensitive
• Refractive Index: 1.36
• Flash Point(°F): 230 °F
• Flash Point(°C): >110°C(230°F)
• Boil Point(°C): 153°C
• Molecular Weight: 178.090 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 177.955 Da
• Monoisotopic Mass: 177.955 Da
• Topological Polar Surface Area: 79.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 236.000
• 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

References

1. Xianglin Qu, Kaiyuan Tan, Zikai Li, Caili Xu, Shu Zhang, Hongcheng Yang, Yuanyuan Sun, Zhengli Yin, Mengqiang Wu.  (2026)  Composite solid electrolyte interphase formation on a cleaned lithium metal surface by fluorosulfonyl difluoroacetic acid.  Sustainable Materials and Technologies,      [PMID:] [10.1016/j.susmat.2026.e01963]