Benzoic acid, 3-fluoro-, ethyl ester

CAS Registry Number®

451-02-5

CAS Name

Benzoic acid, 3-fluoro-, ethyl ester

Molecular Formula

C9H9FO2

Molecular Mass

168.16

Cite this Page

Benzoic acid, 3-fluoro-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=451-02-5 (retrieved 2024-11-28) (CAS RN: 451-02-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    94-95 °C @ Press: 16 Torr

  • Density (1)

    1.1164 g/cm³ @ Temp: 40 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9FO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3

InChIKey

InChIKey=SMMIKBXLEWTSJD-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C1=CC(F)=CC=C1

Canonical SMILES

O=C(OCC)C=1C=CC=C(F)C1

Other Names for this Substance

  • Benzoic acid, 3-fluoro-, ethyl ester
  • Benzoic acid, m-fluoro-, ethyl ester
  • Ethyl 3-fluorobenzoate
  • 3-Fluorobenzoic acid ethyl ester

CAS INSIGHTSTM
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