Hypofluorous acid, trifluoromethyl ester

HCID 78989

Notes Reactions

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Basic information

CAS: 373-91-1
Standard SMILES: FOC(F)(F)F
InChIKey: SMBZJSVIKJMSFP-UHFFFAOYSA-N
Molecular formula: CF4O
Average molar mass: 104.004 g/mol
Monoisotopic mass: 103.9885275

Overview

reagent in fluorination of nucleosides; structure

Names & identifiers

Preferred name: Hypofluorous acid, trifluoromethyl ester
IUPAC: trifluoromethyl hypofluorite
English name: TRIFLUOROMETHYLHYPOFLUORITE
Molecular formula: CF4O
Molecular weight: 104

Names & synonyms

Trifluoromethyl hypofluorite373-91-1Hypofluorous acid, trifluoromethyl esterDTXSID4073174RefChem:191600DTXCID4039312206-772-7TrifluoromethylhypofluoriteCF3OFTrifluoromethyl hypofluorideEINECS 206-772-7fluoroxytrifluoromethane

Show more names

Trifluoromethoxy fluorideTrifluoro(fluorooxy)methane(Trifluoromethoxy) fluorideTRIFLUOROMETHYL HYPOFLUOROITETRIFLUOROMETHYLHYPOFLUORITE ISO 9001：2015 REACH

SCHEMBL465096Q7841508

Database identifiers

CAS: 373-91-1
PubChem CID: 78989
DTXSID: DTXSID4073174
EC Number: 206-772-7
Nikkaji: J213.568J

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 37.3

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Melting point: -213 °C · -213°C
Boiling point: -95 °C · -95°C
Density: 1.419 · 1.419±0.06 g/cm3(Predicted)
Exposure limits: 0.2 mg/m3 · MAC: 0.2 mg/m3
EPA Substance Registry System: Hypofluorous acid, trifluoromethyl ester (373-91-1)
Risk Statements: 8 · 8-23-34
Safety Statements: 17 · 17-26-38-45
RIDADR: 3310 · 3310