Heptafluorobutyroyl fluoride

HCID 67632

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Basic information

CAS: 335-42-2
Standard SMILES: O=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey: YYXWJNBPHDUWJP-UHFFFAOYSA-N
Molecular formula: C3F7COF
Average molar mass: 216.03 g/mol
Monoisotopic mass: 215.98214038

Names & identifiers

Preferred name: Heptafluorobutyroyl fluoride
IUPAC: 2,2,3,3,4,4,4-heptafluorobutanoyl fluoride
English name: Heptafluorobutyryl fluoride
Molecular formula: C4F8O
Molecular weight: 216.03

Names & synonyms

Heptafluorobutyryl fluoride335-42-2Heptafluorobutanoyl fluorideButanoyl fluoride, heptafluoro-Perfluorobutyryl fluoride2,2,3,3,4,4,4-Heptafluorobutanoyl fluoridePerfluorobutanoyl fluorideheptafluorobutyroyl fluoride5MF7TJQ3P7EINECS 206-390-0Butanoyl fluoride, 2,2,3,3,4,4,4-heptafluoro-DTXSID0041696

Show more names

heptafluoro-butanoylfluoridHEPTARFLUOROBUTYRYL FLUORIDEHEPTAFLUOROBUTYRYL FLUOROIDEHeptafluorobutyric acid fluoride2,2,3,3,4,4,4-heptafluorobutyryl fluoride

BUTYRYL FLUORIDE, HEPTAFLUORO-RefChem:783618DTXCID8021696206-390-0MFCD01631693Octafluorobutan-1-oneHEPTAFLUOROBUTYRYLFLUORIDEUNII-5MF7TJQ3P7

Database identifiers

CAS: 335-42-2
PubChem CID: 67632
DTXSID: DTXSID0041696
UNII: 5MF7TJQ3P7
EC Number: 206-390-0
Nikkaji: J26.718J

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 9
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 215

Experimental & physicochemical properties

PFAS · 5 items

PFAS -> Other/unspecified

PFAS -> Perfluoroalkane carbonyl fluoride (PACF)-based substances

PFAS -> Other/unspecified

PFAS -> OECD Category

PFAS

Physical DescriptionCBI

Physicochemical properties

Boiling point: 7 · 7-9°C
Density: 1.595 · 1.595±0.06 g/cm3(Predicted)
FDA UNII: 5 MF7TJQ3P7 · 5MF7TJQ3P7
EPA Substance Registry System: Butanoyl fluoride, heptafluoro- (335-42-2)
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3308 · 3308
Hazard Note: Corrosive
TSCA: TSCA listed
HazardClass: GAS, CORROSIVE

Safety & regulation

Hazard information

Regulatory Information · 1 item

Butanoyl fluoride, 2,2,3,3,4,4,4-heptafluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanoyl fluoride, 2,2,3,3,4,4,4-heptafluoro- 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)