Basic information
- CAS
404-15-9- Standard SMILES
O=C(CF)Oc1ccccc1- InChIKey
HSLTXXUPJDQIFD-UHFFFAOYSA-N- Molecular formula
- C8H7FO2
- Average molar mass
- 154.14 g/mol
- Monoisotopic mass
- 154.04300762
Names & identifiers
- Preferred name
- Phenyl fluoroacetate
- IUPAC
- phenyl 2-fluoroacetate
- English name
- 1-Acetoxy-4-fluorobenzene
- Molecular formula
- C8H7FO2
- Molecular weight
- 154.14
Names & synonyms
Phenyl fluoroacetate404-15-9DTXSID30960800RefChem:1095011DTXCID501388644phenyl 2-fluoroacetateACETIC ACID, FLUORO-, PHENYL ESTERSCHEMBL241908phenylfluoroacetateP-FLUOROPHENYL ACETATEfluoro-aceticaciphenylesterACETIC ACID 4-FLUOROPHENYL ESTER
Database identifiers
- CAS
404-15-9- PubChem CID
- 9829
- DTXSID
DTXSID30960800- Nikkaji
- J55.319K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Melting point
- 63.5 · 63.5-64 °C
- Boiling point
- 197 °C · 197 °C(lit.)
- Density
- 1.178 g/mL · 1.178 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.48(lit.)
- Flash point
- 190 °F · 190 °F
- CAS DataBase Reference
- 404 · 404-15-9(CAS DataBase Reference)
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · 3
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
- wgk
- 3
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Chemistry & industry
Suppliers3 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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