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Pentafluorophenol-[Od]

General Information
Catalog: BLP-008596
CAS: 105596-34-7
Molecular Formula: C6F5OD
Molecular Weight: 185.07
Chemical Structure
Pentafluorophenol-[Od]
Description Pentafluorophenol-[Od] is an isotopically labelled analog of Pentafluorophenol. Pentafluorophenol is used to prepare pentafluorophenyl ester.
Synonyms 2,3,4,5,6-Pentafluorophenol-d; Pentafluorophenol-OD; 1-deuteriooxy-2,3,4,5,6-pentafluorobenzene; Pentafluorophen(ol-d)
IUPAC Name 1-deuteriooxy-2,3,4,5,6-pentafluorobenzene
Related CAS 771-61-9 (unlabelled)
Isomeric SMILES [2H]OC1=C(C(=C(C(=C1F)F)F)F)F
Canonical SMILES C1(=C(C(=C(C(=C1F)F)F)F)F)O
InChI InChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H/i/hD
InChI Key XBNGYFFABRKICK-DYCDLGHISA-N
Boiling Point 143°C(lit.)
Melting Point 34-36°C(lit.)
Purity 98% by CP; 98% atom D
Density 1.699g/cm3

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