394300

Trifluoroacetic acid-d

99 atom % D

• Linear Formula: CF₃COOD
• CAS Number: 599-00-8
• Molecular Weight: 115.03
• Beilstein/REAXYS Number: 1768662
• EC Number: 209-961-2
• MDL number: MFCD00044563
• UNSPSC Code: 12142201
• PubChem Substance ID: 24864586

Properties

• isotopic purity: 99 atom % D
• form: liquid
• technique(s): NMR: suitable
• impurities: ≤0.5000% 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 (d-TFA) is trifluoroacetic acid with hydrogen of the –OH group replaced by deuterium. It is usually added to other NMR solvents to shift the active hydrogen of organic compounds to low field.[1][2][3] Trifluoroacetic acid is a non-oxidizing acid and a non-aqueous solvent which is miscible with many organic solvents. It has the ability to dissolve proteins and some polymers.[4]

Application

Trifluoroacetic acid-d may be used as a ¹H NMR and ¹³C NMR solvent.[5]

Safety Information

• pictograms: GHS05,GHS07
• signalword: Danger
• hcodes: H314,H332,H412
• pcodes: 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: 8A - Combustible corrosive hazardous materials
• wgk_germany: WGK 2
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter