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Pentafluorophenol-[Od]

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General Information
Catalog: BLP-008596
CAS: 105596-34-7
Molecular Formula: C6F5OD
Molecular Weight: 185.07

Chemical Structure

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	143ºC(lit.)
Melting Point	34-36ºC(lit.)
Purity	98% by CP; 98% atom D
Density	1.699g/cm3