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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

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Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

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
Hexafluoroacetone hydrate-[d2] (5:8)
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/c5*4-2(5,6)1(10)3(7,8)9;;;;;;;;/h;;;;;8*1H2/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
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