152005

Trifluoroacetic acid-d

99.5 atom % D

• Linear Formula: CF₃COOD
• CAS Number: 599-00-8
• Molecular Weight: 115.03
• Beilstein: 1768662
• EC Number: 209-961-2
• MDL number: MFCD00044563
• UNSPSC Code: 12142201
• PubChem Substance ID: 24849189
• NACRES: NA.21

Properties

• isotopic purity: 99.5 atom % D
• form: liquid
• technique(s): NMR: suitable
• impurities: ≤0.500% water; water
• refractive index: n20/D 1.3 (lit.)
• bp: 75 °C (lit.)
• mp: -15 °C (lit.)
• density: 1.493 g/mL at 25 °C (lit.)
• mass shift: M+1
• SMILES string: [2H]OC(=O)C(F)(F)F
• InChI: 1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)/i/hD
• InChI key: DTQVDTLACAAQTR-DYCDLGHISA-N

Description

General description

Trifluoroacetic acid-d is a standard purity solvent suitable for routine NMR analyses (conducted at ambient temperatures where quality is less critical).

Trifluoroacetic acid-d is a synthetic reagent having isotopic purity of 99.5atom%D. It undergoes SE′ reaction with (R)-(E)-1,3-diphenyl-3-trimethylsilylpropene, via antistereochemistry to afford (R)-(E)-1,3-diphenylpropene-3-d. Vapor phase dissociation of trifluoroacetic acid-d has been studied.

Application

Trifluoroacetic acid-d may be employed as solvent to investigate the conformations of cyclic peptides by proton NMR spectra. It may be used to compose NMR solvent mixture to investigate the NMR spectra of high molecular weight polyesters such as polyglycolide (PG) and poly(ethylene terephthalate) (PET).

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Safety Information

• Pictograms: GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H314,H332,H412
• Precautionary Statements: P261 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Inhalation - Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1A
• Storage Class Code: 8A - Combustible corrosive hazardous materials
• WGK: WGK 3
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves