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Trifluoroacetic acid-d

CAS 599-00-8CF3COODAcids & Bases

Trifluoroacetic acid-d (CAS: 599-00-8), with the linear formula CF3COOD and a molecular weight of 115.03 g/mol, is a deuterated organic acid. It serves as a valuable reagent in organic synthesis and is particularly useful as an NMR solvent due to its deuterated nature, which minimises proton signals. Its corrosive properties necessitate careful handling. It is supplied by TSS for research and specialised industrial applications.

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Trifluoroacetic acid-d (CF3COOD) — chemical structure, CAS 599-00-8; Chemistry, fine chemical supplied by Tech Serve Solutions
AcidsAcids & BasesChemical SynthesisNMR SolventsNMR Solvents and ReagentsOrganic AcidsSolvent by ApplicationSolventsSpectroscopy Solvents (IRNMR
01 /Applications

NMR Spectroscopy Solvent

As a deuterated analogue of trifluoroacetic acid, this compound is employed as a solvent in Nuclear Magnetic Resonance (NMR) spectroscopy. Its deuteration at the acidic proton site ensures that it does not interfere with the proton NMR spectra of analytes, making it ideal for structure elucidation.

Organic Synthesis Reagent

Trifluoroacetic acid-d is utilised in various organic synthesis reactions. Its strong acidic and electrophilic nature, characteristic of trifluoroacetic acid derivatives, allows it to participate in a range of chemical transformations and catalysis.

Deuterium Labeling Studies

This deuterated compound is valuable in studies requiring isotopic labelling. It can be incorporated into molecules to track reaction mechanisms or to study metabolic pathways, leveraging the distinct NMR signature of deuterium.

02 /Properties
Molecular weight115.03
Linear formulaCF3COOD
Boiling point75 °C(lit.)
Density1.493 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.3(lit.)
03 /Safety & handling
GHS hazard pictogram: Corrosive (GHS05)
Corrosive
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Danger

Hazard statements

  • H314Causes severe skin burns and eye damage
  • H332Harmful if inhaled

Precautionary statements

  • P280Wear protective gloves, clothing and eye/face protection
  • P305IF IN EYES
  • P310Immediately call a POISON CENTER or doctor
Protective equipmentFaceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Transport (UN / ADR)UN 2699 8 / PGI
Water hazard class (WGK, DE)3
Hazard codes (EU)C
Risk statements (R)20-35-52/53
Safety statements (S)9-26-27-28-45-61

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
599-00-8
MDL number
MFCD00044563
PubChem substance
24849189
Beilstein registry
1768662
05 /Additional specifications
Mol Wtmol wt 115.02 by atom % calculationmol wt 115.03
Isotopic Purity99.5 atom % D
Mass ShiftM+1
06 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

07 /Frequently asked questions

What is Trifluoroacetic acid-d used for?

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Trifluoroacetic acid-d (CAS: 599-00-8) is primarily used as a deuterated solvent in NMR spectroscopy and as a reagent in specialised organic synthesis and deuterium labelling studies.

What is the CAS number and formula for Trifluoroacetic acid-d?

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The CAS number for Trifluoroacetic acid-d is 599-00-8, and its linear formula is CF3COOD.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies Trifluoroacetic acid-d with a minimum isotopic purity of 99.5 atom % D. We do not represent this product as USP, BP, or EP grade.

How should Trifluoroacetic acid-d be handled safely?

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Trifluoroacetic acid-d is a corrosive substance (Danger, H314) that can cause severe burns and eye damage, and is harmful if inhaled (H332). Always use appropriate personal protective equipment, including a full-face respirator, chemical-resistant gloves, and goggles. Handle only in a well-ventilated area or fume hood.

How is Trifluoroacetic acid-d packed, shipped, and exported?

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Trifluoroacetic acid-d is packed according to relevant regulations for hazardous materials and is available for global export by Tech Serve Solutions.

How can I request a sample or quote for Trifluoroacetic acid-d?

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To request a sample or a quote for Trifluoroacetic acid-d, please contact our sales team through the TSS website or by telephone.

Need Trifluoroacetic acid-d in a specific grade or volume?