Organofluorine / Alfa Chemistry
4-(2-chlorophenyl)-1,1,1-trifluorobut-3-yn-2-one

4-(2-chlorophenyl)-1,1,1-trifluorobut-3-yn-2-one

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4-(2-chlorophenyl)-1,1,1-trifluorobut-3-yn-2-one
Catalog OFC77063219
CAS 77063-21-9
Category Other Fluorinated Group Introducing Agents
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C10H4ClF3O/c11-8-4-1-7(2-5-8)3-6-9(15)10(12,13)14/h1-2,4-5H
InChI Key OPQSMCFQNZVYIL-UHFFFAOYSA-N
Canonical SMILES O=C(C#Cc1ccc(Cl)cc1)C(F)(F)F
Molecular Formula C10H4ClF3O
Molecular Weight 232.588
Melting Point 40-42 °C
Boiling Point 98.0 °C
Density 1.42 g/cm3
Exact Mass 231.9903

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