396532

2,2,2-Trifluoroethanol-d₃

≥99.5 atom % D

• Linear Formula: CF₃CD₂OD
• CAS Number: 77253-67-9
• Molecular Weight: 103.06
• EC Number: 278-649-6
• MDL number: MFCD00037682
• UNSPSC Code: 12142201
• PubChem Substance ID: 24864674
• NACRES: NA.21

Properties

• isotopic purity: ≥99.5 atom % D
• assay: ≥99% (CP)
• form: liquid
• technique(s): NMR: suitable
• impurities: ≤0.05% water; water
• refractive index: n20/D 1.3 (lit.)
• bp: 77-80 °C (lit.)
• mp: −44 °C (lit.)
• density: 1.415 g/mL at 25 °C (lit.)
• mass shift: M+3
• SMILES string: [2H]OC([2H])([2H])C(F)(F)F
• InChI: 1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2/i1D2,6D
• InChI key: RHQDFWAXVIIEBN-IDPMSXFZSA-N

Description

General description

2,2,2-Trifluoroethanol-d₃ (TFEd3) is 2,2,2-trifluoroethanol in which hydrogen of the –OH group is substituted with deuterium. It is a commonly used ¹H NMR and ¹³C NMR solvent.

Application

Recent uses include a gas-phase study of the silaformamide ion and an investigation of substituent effects in photosolvolysis.

Safety Information

• pictograms: GHS02,GHS06,GHS08,GHS05
• signalword: Danger
• hcodes: H226,H301 + H331,H318,H360F,H373
• pcodes: P202 - P210 - P280 - P301 + P310 - P304 + P340 + P311 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Dam. 1 - Flam. Liq. 3 - Repr. 1B - STOT RE 2 Inhalation
• target_organs: Blood
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 84.2 °F - closed cup
• flash_point_c: 29 °C - closed cup