Methyl 2-fluoro-2-phenylacetate
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Basic information
- CAS
17841-30-4- Standard SMILES
COC(=O)C(F)c1ccccc1- InChIKey
IVNYMGLSBUCTBI-UHFFFAOYSA-N- Molecular formula
- C9H9FO2
- Average molar mass
- 168.16 g/mol
Names & identifiers
- Preferred name
- Methyl 2-fluoro-2-phenylacetate
- IUPAC
- methyl 2-fluoro-2-phenylacetate
- English name
- Methyl 2-fluoro-2-phenylacetate
- Molecular formula
- C9H9FO2
- Molecular weight
- 168.1649632
Names & synonyms
methyl 2-fluoro-2-phenylacetate17841-30-4MFCD09752613methyl fluoro(phenyl)acetate(ALPHA-FLUORO)PHENYLACETIC ACID METHYL ESTERMethyl 2-fluoro-2-phenyl-acetatemethyl2-fluoro-2-phenylacetateSCHEMBL2078143SCHEMBL9217848IVNYMGLSBUCTBI-UHFFFAOYSA-NSY244798WS-00678
Show more names
Benzeneacetic acid, α-fluoro-, methyl ester(ALPHA-FLUORO)PHENYLACETIC ACID METHYL ESTER(WXFC0844)
O11875
Database identifiers
- CAS
17841-30-4- Nikkaji
- J316.906E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 101 · 101-103 °C(Press: 15 Torr)
- Density
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501
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
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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