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Hexafluoroacetone hydrate-[d2] (5:8)

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General Information
Catalog: BLP-001665
CAS: 109640-39-3
Molecular Formula: C3F6O.8/5(D2O)
Molecular Weight: 198.07

Chemical Structure

Description	Hexafluoroacetone-[d2] hydrate is the labelled analogue of Hexafluoroacetone hydrate. Hexafluoroacetone hydrate is used as an intermediate in organic synthesis.
Synonyms	2-Propanone, 1,1,1,3,3,3-hexafluoro-, deuterate (5:8); 2-Propanone, 1,1,1,3,3,3-hexafluoro-, hydrate-d2 (5:8); Water-d2, compd. with 1,1,1,3,3,3-hexafluoro-2-propanone (8:5)
IUPAC Name	deuterated water;1,1,1,3,3,3-hexafluoropropan-2-one
Related CAS	10543-95-0 (unlabelled monotrihydrate) 34202-69-2 (unlabelled trihydrate) 684-16-2 (unlabelled free base) 72301-81-6 (monotrihydrate)
Canonical SMILES	C(=O)(C(F)(F)F)C(F)(F)F.C(=O)(C(F)(F)F)C(F)(F)F.C(=O)(C(F)(F)F)C(F)(F)F.C(=O)(C(F)(F)F)C(F)(F)F.C(=O)(C(F)(F)F)C(F)(F)F.O.O.O.O.O.O.O.O
InChI	InChI=1S/5C3F6O.8H2O/c54-2(5,6)1(10)3(7,8)9;;;;;;;;/h;;;;;81H2/i/hD16
InChI Key	MXXAOJTWEBEIPQ-PLRJBWBQSA-N
Boiling Point	104-108 °C
Melting Point	21 °C
Purity	98%; 99% atom D
Density	1.710 g/cm3
Appearance	Liquid
Storage	Store at RT