Trifluoroacetic acid-d
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.

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.
| Molecular weight | 115.03 |
|---|---|
| Linear formula | CF3COOD |
| Boiling point | 75 °C(lit.) |
| Density | 1.493 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.3(lit.) |


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 equipment | Faceshields, 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.
| Mol Wt | mol wt 115.02 by atom % calculationmol wt 115.03 |
|---|---|
| Isotopic Purity | 99.5 atom % D |
| Mass Shift | M+1 |
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.
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.
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