Basic information
- CAS
359-14-8- Standard SMILES
O=C(F)CCl- InChIKey
GKUAOYZMFRWOOC-UHFFFAOYSA-N- Molecular formula
- C2H2ClFO
- Average molar mass
- 96.49 g/mol
- Monoisotopic mass
- 95.9778205
Names & identifiers
- Preferred name
- 2-chloroacetyl Fluoride
- IUPAC
- 2-chloroacetyl fluoride
- English name
- CHLOROACETYL FLUORIDE
- Molecular formula
- C2H2ClFO
- Molecular weight
- 96.49
Names & synonyms
chloroacetyl fluoride2-chloroacetyl Fluoride359-14-82-chloro-acetyl fluorideSCHEMBL1335591DTXSID10416017GKUAOYZMFRWOOC-UHFFFAOYSA-NMFCD01861133AKOS006378959DB-230098InChI=1/C2H2ClFO/c3-1-2(4)5/h1HChloroacetylfluoride98%
Show more names
Chloroacetyl fluoride 98%Acetyl fluoride, chloro- (6CI,7CI,8CI,9CI)
Database identifiers
- CAS
359-14-8- PubChem CID
- 5325485
- DTXSID
DTXSID10416017- Nikkaji
- J385.038B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 44
Physicochemical properties
- Boiling point
- 75 °C · 75°C
- Density
- 1.38 g/cm3 · 1.38 g/cm3
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 23 · 23-26-36/37/39-45
- RIDADR
- 3265 · 3265
- Hazard Note
- Corrosive
- HS Code
- 2915907098 · 2915907098
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 3265
- hs_code
- 2915907098
- risk_code
- 34
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 23-26-36/37/39-45
Chemistry & industry
Applications
UsesChloroacetyl Fluoride is used as an acylating agent and a precursor to chloroacetylium ion.
Preparation methods
PreparationChloroacetyl Fluoride is generally prepared by fluorination of ClCH2COCl. A variety of reagents has been employed for this transformation, including benzoyl fluoride/KH2F, KHF2, KF, KF/tetraalkylammonium chloride, and dialkylaminosulfur trifluoride. Preparation of ClCH2COF may also be accomplished from ClCH2CO2H through the use of 2- chloro-1,1,2-trifluoroethyldiethylamine as the fluoride source. Treatment of ClCH2CF2CF2OCH3 with SO3 leads to the formation of ClCH2COF in 94% yield, which is the highest yield reported for the preparation of the reagent.
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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