Benzoic acid, 2-fluoro-, ethyl ester
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Benzoic acid, 2-fluoro-, ethyl ester
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CAS No:
443-26-5
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Formula:
C9H9FO2
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Chemical Name:
Benzoic acid, 2-fluoro-, ethyl ester
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Synonyms:
Benzoic acid,2-fluoro-,ethyl ester;Benzoic acid,o-fluoro-,ethyl ester;Ethyl o-fluorobenzoate;Ethyl 2-fluorobenzoate;NSC 67340;2-Fluorobenzoic acid ethyl ester
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CAS No:
Benzoic acid, 2-fluoro-, ethyl ester Basic Attributes
168.16
168.16
2084296
207-134-0
67340
DTXSID6059996
2916399090
Characteristics
26.3
2.2
colorless transparent liquid
1.1261 g/cm3 @ Temp: 40 °C
85.5 °C @ Press: 8 Torr
217-220°C
1.488
0.0237mmHg at 25°C
Safety Information
24/25
F
Flammable
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
Benzoic acid, 2-fluoro-, ethyl ester Use and Manufacturing
General procedure: An oven-dried Schlenk-tube (10 mL) was charged with Pd source (1 mol percent), and ethyl potassium oxalate (0.75 mmol). The tube was evacuated and backfilled with argon (this procedure was repeated three times). After that, iodobenzene (0.5 mmol) and NMP (1.0 mL) were added by syringe under a counter flow of argon at room temperature. The reaction vessel was closed and then placed under stirring in a preheated oil bath. The reaction mixture was stirred for 24 h. Upon completion of the reaction, the mixture was cooled to room temperature and diluted with ethyl acetate, and analyzed by gas chromatography.
Benzoic acid, 2-fluoro-, ethyl ester: INACTIVE
Computed Properties
Molecular Weight:168.16
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:168.05865769
Monoisotopic Mass:168.05865769
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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