534773

Hexafluoroacetone deuterate

≥99.5 atom % D

• Synonym(s): Hexafluoro-2-propanone deuterate
• 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.)

Properties

• 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

Description

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.[1]

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Safety Information

• pictograms: GHS06,GHS08
• signalword: Danger
• hcodes: H301 + H311 + H331,H315,H319,H335,H360
• pcodes: P202 - P280 - P301 + P310 - P302 + P352 + P312 - P304 + P340 + P311 - P305 + P351 + P338
• 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
• supp_hazards: EUH014
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter