Difluoro(fluorosulphonyl)acetyl fluoride

HCID 69614CAS 677-67-8

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(F)C(F)(F)S(=O)(=O)F
InChIKey: YIHXQSQQJBEAKK-UHFFFAOYSA-N
Molecular formula: C2F4O3S
Average molar mass: 180.08 g/mol
Monoisotopic mass: 179.95042774

Names & identifiers

Preferred name: Difluoro(fluorosulphonyl)acetyl fluoride
IUPAC: 2,2-difluoro-2-fluorosulfonylacetyl fluoride
English name: 2-(Fluorosulfonyl)difluoroacetyl fluoride
Molecular formula: C2F4O3S
Molecular weight: 180.08

Names & synonyms

677-67-8Acetyl fluoride, difluoro(fluorosulfonyl)-Difluoro(fluorosulphonyl)acetyl fluoride2,2-difluoro-2-(fluorosulfonyl)acetyl fluorideEINECS 211-642-8Acetyl fluoride, 2,2-difluoro-2-(fluorosulfonyl)-DTXSID0060981RefChem:587452DTXCID1044986211-642-82-(Fluorosulfonyl)difluoroacetyl fluoridedifluoro(fluorosulfonyl)acetyl fluoride

Show more names

(Fluorosulfonyl)difluoroacetyl fluoride2-(FLOROSULFONYL)DIFLUOROACETYL FLUORIDE2-(FLUOROSULPHONYL)DIFLUOROACETYL FLUORIDE2-(Fluorosulphonyl)difluoroacetylfluoride97%Difluoro(fluorosulfonyl)acetic acid fluoride

2,2-difluoro-2-fluorosulfonylacetyl fluoride2,2-difluoro-2-fluorosulfonyl-acetyl fluorideFSO2CF2COF2,2-Difluoro-2-fluorosulfonylacetyl fluoride (8-10%-sultone)FSO2CF2(C=O)FSCHEMBL1054681fluorosulfonyl difluoroacetyl fluorideMFCD02093337

Database identifiers

CAS: 677-67-8
PubChem CID: 69614
DTXSID: DTXSID0060981
EC Number: 211-642-8
Nikkaji: J26.703A

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 59.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 236

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Melting point: -110 °C · -110°C
Boiling point: 30 °C · 30°C
Density: 1 · 1,58 g/cm3
EPA Substance Registry System: Acetyl fluoride, difluoro(fluorosulfonyl)- (677-67-8)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Hazard Codes: C,T
Risk Statements: 23 · 23/24/25-34
Safety Statements: 26 · 26-36/37/39
RIDADR: 2927 · 2927
Hazard Note: Toxic/Corrosive
TSCA: TSCA listed
HazardClass: TOXIC, CORROSIVE

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 1 item

Acetyl fluoride, 2,2-difluoro-2-(fluorosulfonyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetyl fluoride, 2,2-difluoro-2-(fluorosulfonyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

tsca: TSCA listed
ridadr: 2927
risk_code: 23/24/25-34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,T
hazard_note: Toxic/Corrosive
safety_code: 26-36/37/39
hazard_class: TOXIC, CORROSIVE
Hazard statements: H314
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501