Acetic acid, fluorooxo-, 2-chloro-2-propenyl ester
Basic information
- CAS
115686-70-9- Standard SMILES
C=C(Cl)COC(=O)C(=O)F- InChIKey
VFJFFZOLHSXKOG-UHFFFAOYSA-N- Molecular formula
- C5H4ClFO3
- Average molar mass
- 166.53 g/mol
- Monoisotopic mass
- 165.9832998
Names & identifiers
- Preferred name
- Acetic acid, fluorooxo-, 2-chloro-2-propenyl ester
- IUPAC
- 2-chloroprop-2-enyl 2-fluoro-2-oxoacetate
- English name
- Fluorooxoacetic 2-chloro-2-propenyl ester
- Molecular formula
- C5H4ClFO3
- Molecular weight
- 166.53
Names & synonyms
115686-70-9Acetic acid, fluorooxo-, 2-chloro-2-propenyl esterDTXSID70452052RefChem:316636DTXCID304028712-Chloroallyl 2-fluoro-2-oxoacetate2-chloroprop-2-enyl 2-fluoro-2-oxoacetate2-CHLOROPROP-2-EN-1-YL OXALOFLUORIDATE2-Chloroallyl oxalofluorideC5H4ClFO3SCHEMBL9034774VFJFFZOLHSXKOG-UHFFFAOYSA-N
Show more names
2-Chloroallyl 2-fluoro-2-oxoacetate 97%Fluorooxoacetic 2-chloro-2-propenyl ester2-Fluoro-2-oxoacetic acid 2-chloro-allyl esterAcetic acid, 2-fluoro-2-oxo-, 2-chloro-2-propen-1-yl ester
MFCD097636352-chloroallyl 2-fluoro-2-oxo-acetateAKOS0052589762-Chloroallyl 2-fluoro-2-oxoacetate, 97%2-Chloroprop-2-en-1-yl fluoro(oxo)acetate
Database identifiers
- CAS
115686-70-9- PubChem CID
- 11019232
- DTXSID
DTXSID70452052- EC Number
- 689-651-5
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 62 · 62-64 °C(Press: 22 Torr)
- Density
- 1.36 g/mL · 1.360 g/mL at 25 °C
- refractive index
- 20 · n20/D1.429
- Flash point
- 76 ℃ · 76℃
- storage temp.
- 2 · 2-8°C
- form
- liquid
- InChI
- 1S/C5H4ClFO3/c1-3(6)2-10-5(9)4(7)8/h1-2H2
- InChIKey
- VFJFFZOLHSXKOG-UHFFFAOYSA-N
- SMILES
- FC(=O)C(=O)OCC(Cl)=C
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
- Hazard Codes
- C
- Risk Statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- 3
- ridadr
- UN 1760 8 / PGII
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Related reactions
4 records
Compound notes
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