Quality Segment
assay
≥98%
form
liquid
refractive index
n20/D 1.3516 (lit.)
bp
127 °C (lit.)
density
1.16 g/mL at 25 °C (lit.)
functional group
ester, fluoro
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
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..
signalword
Warning
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - STOT SE 3
target_organs
Respiratory system
存储类别
3 - Flammable liquids
wgk
WGK 3
flash_point_f
91.4 °F - closed cup
flash_point_c
33 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter