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HomeProduct name listMETHYL 2-FLUOROBENZOATE

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: 2023-04-23 13:52:06
METHYL 2-FLUOROBENZOATE Structural

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  n20/D 1.502(lit.)
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)
ghs
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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