Vinyl trifluoroacetate

Inquiry

Molecular Formula:

C4H3F3O2

Molecular Weight:

140.06

CAS Number:

433-28-3

Catalog Number:

433-28-3

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

Canonical 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

40ºC (750 mmHg)

Flash Point

-25.6 ℃F - 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.

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:

Computed Properties

XLogP3

1.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

140.00851382 g/mol

Monoisotopic Mass

140.00851382 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

126

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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