Benzoic acid, 3-fluoro-, ethyl ester
CAS Registry Number®
451-02-5
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CAS Name
Benzoic acid, 3-fluoro-, ethyl esterMolecular Formula
C9H9FO2Molecular Mass
168.16Cite 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/ChemicalDetail.aspx?ref=451-02-5 (retrieved ) (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 TorrDensity (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
