Butyl 2,2,3,3,3-pentafluoropropanoate
Basic information
- CAS
680-28-4- Standard SMILES
CCCCOC(=O)C(F)(F)C(F)(F)F- InChIKey
DUTTZBRMOIAYKM-UHFFFAOYSA-N- Molecular formula
- C7H9F5O2
- Average molar mass
- 220.14 g/mol
- Monoisotopic mass
- 220.05227034
Names & identifiers
- Preferred name
- Butyl 2,2,3,3,3-pentafluoropropanoate
- IUPAC
- butyl 2,2,3,3,3-pentafluoropropanoate
- English name
- n-Butyl pentafluoropropionate
- Molecular formula
- C7H9F5O2
- Molecular weight
- 220.14
Names & synonyms
n-Butyl pentafluoropropionate680-28-4butyl 2,2,3,3,3-pentafluoropropanoateN-BUTYLPENTAFLUOROPROPIONATEButyl pentafluoropropanoateMFCD02093312pentafluoro-propionic acid butyl esterButyl perfluoropropanoateSCHEMBL2690931DTXSID501045313SBB095891Pentafluoropropionic acid, butyl ester
Show more names
n-Butylpentafluoropropionate98%PentafluoropropionicacidbutylesterPropanoic acid, 2,2,3,3,3-pentafluoro-, butyl ester
AKOS016015442BS-29334CS-02073242,2,3,3,3-Pentafluoro-propionic acid butyl ester
Database identifiers
- CAS
680-28-4- PubChem CID
- 526448
- DTXSID
DTXSID501045313- Nikkaji
- J95.637F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 116 · 116-117°C
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
- HS Code
- 2915500000 · 2915500000
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
- hs_code
- 2915500000
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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