METHYL 2-FLUOROBENZOATE
- CAS NO.：394-35-4
- Empirical Formula: C8H7FO2
- Molecular Weight: 154.14
- MDL number: MFCD00017913
- EINECS: 206-894-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-01-27 09:38:02
What is METHYL 2-FLUOROBENZOATE?
Chemical properties
Colorless liquid
The Uses of METHYL 2-FLUOROBENZOATE
Methyl 2-fluorobenzoate may be used to synthesize 2-fluoro-α-methylstyrene and 2-fluorophenyldiphenylmethanol.
Synthesis Reference(s)
Synthetic Communications, 21, p. 2377, 1991 DOI: 10.1080/00397919108021598
General Description
Methyl 2-fluorobenzoate is an ortho-halogen-substituted methyl benzoate ester. It reacts with hydrazide to afford 2-fluorobenzoic hydrazide. Methyl 2-fluorobenzoate undergoes enzymatic dihydroxylation via the whole-cell fermentation in the presence of Escherichia coli JM109 (pDTG601A) to afford a diol.
Properties of METHYL 2-FLUOROBENZOATE
| Melting point: | 93°C |
| Boiling point: | 109-110 °C/35 mmHg (lit.) |
| Density | 1.21 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | 201 °F |
| storage temp. | Sealed in dry,Room Temperature |
| form | clear liquid |
| color | Colorless to Almost colorless |
| Specific Gravity | 1.210 |
| BRN | 1862493 |
| InChI | InChI=1S/C8H7FO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3 |
| CAS DataBase Reference | 394-35-4(CAS DataBase Reference) |
| EPA Substance Registry System | Benzoic acid, 2-fluoro-, methyl ester (394-35-4) |
Safety information for METHYL 2-FLUOROBENZOATE
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H227:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P403+P235:Store in a well-ventilated place. Keep cool. |
Computed Descriptors for METHYL 2-FLUOROBENZOATE
| InChIKey | QAFJIJWLEBLXHH-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C1=CC=CC=C1F |
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