Vinyl trifluoroacetate
Product Information
Molecular Formula
C4H3F3O2
Molecular Weight
140.06
Description
Vinyl Trifluoroacetate is a chemical compound extensively employed in the biomedical sector and assumes a fundamental role in the synthesis of diverse pharmaceuticals. Emanating as a pivotal constituent, it engenders a foundation for the formulation of anticancer agents, anti-inflammatory remedies, and antiviral preparations. Its multifaceted disposition facilitates disease-specific targeting by contributing to the advancement of efficacious therapeutic resolutions.
Synonyms
Acetic acid, trifluoro-, ethenyl ester; TRIFLUOROACETIC ACID VINYL ESTER; VINYL TRIFLUOROACETATE; Vinyl trifluoroacetate 98%; Vinyltrifluoroacetate98%; Vinyl trifluoroacetate, 99%, stab. with ca 10ppm 3,5-di-tert-butylcatechol
IUPAC Name
ethenyl 2,2,2-trifluoroacetate
SMILES
C=COC(=O)C(F)(F)F
InChI
InChI=1S/C4H3F3O2/c1-2-9-3(8)4(5,6)7/h2H,1H2
InChI Key
ZBGRMWIREQJHPK-UHFFFAOYSA-N
Boiling Point
40°C (750 mmHg)
Flash Point
-25.6 °CF - closed cup
Purity
95%
Density
1.203
Appearance
Colorless to Light yellow to Light orange clear liquid
Storage
Refrigerator
Refractive Index
n20/D 1.317 (lit.)
Safety Information
Hazards
H225:
Highly flammable liquid and vapour.
H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
H314:
Causes severe skin burns and eye damage.
H341:
Suspected of causing genetic defects.
Highly flammable liquid and vapour.
H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
H314:
Causes severe skin burns and eye damage.
H341:
Suspected of causing genetic defects.
Precautionary Statement
P210:
Keep away from heat, sparks, open flames, hot surfaces. No smoking.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P304+P340+P310:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.
P370+P378:
In case of fire:
Use for extinction:
Keep away from heat, sparks, open flames, hot surfaces. No smoking.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P304+P340+P310:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.
P370+P378:
In case of fire:
Use for extinction:
Computed Properties
XLogP3
1.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
140.00851382 g/mol
Monoisotopic Mass
140.00851382 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
126
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114181340-A | Modified styrene-maleic anhydride resin and preparation method and application thereof | 2021-12-24 |
| CN-112300315-A | Vinylidene fluoride terpolymer and preparation method thereof | 2020-09-24 |
| CN-112300316-A | Vinylidene fluoride copolymer and preparation method thereof | 2020-09-24 |
| CN-112300315-B | Vinylidene fluoride terpolymer and preparation method thereof | 2020-09-24 |
| WO-2022016128-A1 | Method of forming photo-sensitive hybrid films | 2020-07-17 |
| WO-2021235507-A1 | Modified ethylene/vinyl alcohol resin and gas-barrier material | 2020-05-21 |
| FR-3109152-A1 | Radical polymerization process of thionolactones | 2020-04-09 |
| WO-2021205123-A1 | Process for the free radical polymerization of thionolactones or thionocarbonates | 2020-04-09 |
| JP-2021161363-A | Ethylene-based copolymer composition and its use | 2020-04-03 |
| WO-2021195626-A1 | The use of molecularly imprinted polymers for the rapid detection of emerging viral outbreaks | 2020-03-27 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22780868 | 2012-07-25 | Enhancement of poly(vinyl ester) solubility in supercritical CO2 by partial fluorination: the key role of polymer-polymer interactions | Journal of the American Chemical Society |
| 18283348 | 2008-02-27 | Biomimetic trifunctional organocatalyst showing a great acceleration for the transesterification between vinyl ester and alcohol | Chemical communications (Cambridge, England) |
| 15810848 | 2005-04-13 | Reactions of vinyl acetate and vinyl trifluoroacetate with cationic diimine Pd(II) and Ni(II) alkyl complexes: identification of problems connected with copolymerizations of these monomers with ethylene | Journal of the American Chemical Society |
