443700

Ethyl 4,4,4-trifluorobutyrate

≥98%

• Linear Formula: CF₃CH₂CH₂CO₂C₂H₅
• CAS Number: 371-26-6
• Molecular Weight: 170.13
• MDL number: MFCD00041398
• UNSPSC Code: 12352100
• PubChem Substance ID: 24868070
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: ≥98%
• form: liquid
• refractive index: n20/D 1.3516 (lit.)
• bp: 127 °C (lit.)
• density: 1.16 g/mL at 25 °C (lit.)
• SMILES string: CCOC(=O)CCC(F)(F)F
• InChI: 1S/C6H9F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2-4H2,1H3
• InChI key: PSRZMXNNQTWAGB-UHFFFAOYSA-N

Description

General description

Ethyl 4,4,4-trifluorobutyrate is an ethyl ester of 4,4,4-tributyric acid. It is a useful spin trapping reagent used for ESR/EPR spectroscopy. It can be synthesized from Grignard reagent derived from 3-chloro-1,1,1-trifluoropropane..

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Warning
• Hazard Statements: H226,H302 + H312 + H332,H319,H335
• Precautionary Statements: P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 91.4 °F - closed cup
• Flash Point(C): 33 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves