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CAS Number: 104222-46-0
ethyl 3-(3-bromo-2,4,5-trifluorophenyl)-3-oxopropanoate

Structure

ethyl 3-(3-bromo-2,4,5-trifluorophenyl)-3-oxopropanoate
Name: ethyl 3-(3-bromo-2,4,5-trifluorophenyl)-3-oxopropanoate
Synonyms:
General Information
Product Number: 104222460
CAS Registry Number: 104222-46-0
Name:
Benzenepropanoic acid, 3-​bromo-​2,​4,​5-​trifluoro-​β-​oxo-​, ethyl ester
Ethyl 3-​bromo-​2,​4,​5-​trifluorobenzoylacet​ate 
 
Chemical Formula: C11H8BrF3O3
Exact Mass: 323.96
Molecular Weight: 325.08
m/z: 323.96 (100.0%), 325.96 (97.3%), 324.96 (11.9%), 326.96 (11.7%), 325.97 (1.3%)
Elemental Analysis: C, 40.64; H, 2.48; Br, 24.58; F, 17.53; O, 14.77
 
InChI: InChI=1S/C11H8BrF3O3/c1-2-18-8(17)4-7(16)5-3-6(13)11(15)9(12)10(5)14/h3H,2,4H2,1H3
InChIKey: SWZVGWDMALRZMD-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)CC(=O)C1=CC(=C(C(=C1F)Br)F)F
 
Thermal Properties Value Condition Note
Melting Point 85-88 °C   (1)IC

Specification

98%

References
  1. (1) Irikura, Tsutomu; EP 183129 A1 1986 CAPLUS
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