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534773

Sigma-Aldrich

Hexafluoroacetone deuterate

≥99.5 atom % D

Synonym(s):

Hexafluoro-2-propanone deuterate

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About This Item

Linear Formula:
CF3COCF3 · 1.6D2O
CAS Number:
72301-81-6
Molecular Weight:
186.05
MDL number:
MFCD00149064
UNSPSC Code:
12142201
PubChem Substance ID:
24878058
NACRES:
NA.21
technique(s):
NMR: suitable
bp:
104-108 °C (lit.)

isotopic purity

≥99.5 atom % D

form

liquid

technique(s)

NMR: suitable

refractive index

n20/D 1.3 (lit.)

bp

104-108 °C (lit.)

mass shift

M+2

SMILES string

[2H]O[2H].FC(F)(F)C(=O)C(F)(F)F

InChI

1S/C3F6O.H2O/c4-2(5,6)1(10)3(7,8)9;/h;1H2/i/hD2

InChI key

HEBNOKIGWWEWCN-ZSJDYOACSA-N

General description

Hexafluoroacetone deuterate (deuterated aqueous hexafluoroacetone, HFAD) is a deuterated NMR solvent useful in NMR-based research and analyses.

Application

Hexafluoroacetone deuterate (deuterated aqueous hexafluoroacetone, HFAD) may be used as NMR solvent to record 13C-NMR spectra of aliphatic polyamides.

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Pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Irrit. 2 - Repr. 1B - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Supplementary Hazards

EUH014

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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Certificates of Analysis (COA)

Lot/Batch Number
MBBD2090
MBBC8817
MBBB5406V
MBBB1751V
16709PI

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Characterization of Functional Aliphatic Oligoamides Using N-Trifluoroacetylation-I. NMR Analysis.
Girardon V, et al.
Eur. Polymer J., 34, 363-380 (1998)

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