Octanoyl fluoride, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-

HCID 67634

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 335-66-0
Standard SMILES: O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey: ZILWJLIFAGWGLE-UHFFFAOYSA-N
Molecular formula: C7F15COF
Average molar mass: 416.06 g/mol
Monoisotopic mass: 415.9693652

Names & identifiers

Preferred name: Octanoyl fluoride, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-
IUPAC: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl fluoride
English name: PERFLUOROOCTANOYL FLUORIDE
Molecular formula: C8F16O
Molecular weight: 416.06

Names & synonyms

Pentadecafluorooctanoyl fluorideOctanoyl fluoride, pentadecafluoro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl fluoridePentadecafluorooctyl fluorideEINECS 206-396-3Octanoyl fluoride, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-RefChem:856034206-396-3Perfluorooctanoyl fluoride335-66-0MFCD00153259DTXSID0059829

Show more names

F 06161Perfluorooctanoylfluoride98%Perfluorooctanoyl fluoride 98%Perfluorooctanoic acid fluoridePerfluorocaprylic acid fluorideACIDFLUORIDEPERFLUOROOCTANOICACIDPERFLUOROOCTANOICACID,ACIDFLUORIDE

C7F15COFSCHEMBL536269CF3-(CF2)6-COFTS62Q3X34QMSK159435AKOS015852758BS-32293FP103730

Database identifiers

CAS: 335-66-0
PubChem CID: 67634
DTXSID: DTXSID0059829
UNII: TS62Q3X34Q
EC Number: 206-396-3
Nikkaji: J193.774J

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 17
Rotatable bonds: 6
Heavy atoms: 25
Formal charge: 0
Complexity: 527

Experimental & physicochemical properties

PFAS · 6 items

PFAS -> Other/unspecified

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

PFAS -> non-polymer

PFAS -> Other/unspecified

PFAS -> OECD Category

Physicochemical properties

Boiling point: 105 · 105-107°C
Density: 1.7663 g/cm3 · 1.7663 g/cm3(Temp: 25 °C)
refractive index: 1.277 · 1.2770 (589.3 nm 25℃)
EPA Substance Registry System: Octanoyl fluoride, pentadecafluoro- (335-66-0)
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,Xi
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39
RIDADR: 3265 · 3265
Hazard Note: Corrosive
TSCA: TSCA listed
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

S - indicates a substance that is identified in a final Significant New Use Rule.

Substance: Pentadecafluorooctyl fluoride

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

Safety data

tsca: TSCA listed
ridadr: 3265
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H314
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501