Basic information
- CAS
1597-40-6- Standard SMILES
CC(=O)OCC=C(F)F- InChIKey
SFMCWVFEKGYGMH-UHFFFAOYSA-N- Molecular formula
- C5H6F2O2
- Average molar mass
- 136.1 g/mol
- Monoisotopic mass
- 136.03358575
Names & identifiers
- Preferred name
- 3,3-Difluoroallyl acetate
- IUPAC
- 3,3-difluoroprop-2-enyl acetate
- English name
- 3,3-Difluoro-2-propen-1-ol acetate
- Molecular formula
- C5H6F2O2
- Molecular weight
- 136.1
Names & synonyms
3,3-Difluoroallyl acetateRefChem:485337641-294-61597-40-63,3-Difluoro-2-propen-1-ol acetate3,3-Difluoro-2-propenyl acetate3,3-difluoroprop-2-enyl acetate3,3-Difluoroprop-2-en-1-yl acetate2-Propen-1-ol, 3,3-difluoro-, acetateSCHEMBL16192852DTXSID503370353,3-Difluoro-2-propenyl acetate #
Show more names
2-Propen-1-ol, 3,3-difluoro-, acetate (7CI,8CI)
MFCD161704663,3-Difluoro-2-Propen-1-Yl Acetate
Database identifiers
- CAS
1597-40-6- PubChem CID
- 538005
- DTXSID
DTXSID50337035- EC Number
- 641-294-6
- Nikkaji
- J101.222C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 95.6 · 95.6±40.0 °C(Predicted)
- Density
- 1.145 · 1.145±0.06 g/cm3(Predicted)
- form
- liquid
- color
- Clear
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P280
- HS Code
- 2916199590 · 2916199590
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, 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.
Safety data
- hs_code
- 2916199590
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- Hazard statements
- H226-H315-H319-H335
- Precautionary statements
- P210-P280
Chemistry & industry
Suppliers2 total
SYNQUEST[email protected]
APOLLO-NMR[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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