ALLYL TRIFLUOROACETATE

Inquiry

Molecular Formula:

C5H5F3O2

Molecular Weight:

154.09

CAS Number:

383-67-5

Catalog Number:

383-67-5

Product Information

Molecular Formula:

C5H5F3O2

Molecular Weight:

154.09

Description

Allyl Trifluoroacetate plays an important role in the synthesis of complex pharmaceutical compounds and can be used in many aspects of drug research, including cancer, cardiovascular diseases, and a range of complex neurological diseases.

Synonyms

ALLYL-(TRIFLUORACETAT); ALLYL TRIFLUORACETATE; ALLYL TRIFLUOROACETATE; TIMTEC-BB SBB006598; TRIFLUOROACETIC ACID ALLYL ESTER; Acetic acid, trifluoro-, 2-propenyl ester; Acetic acid, trifluoro-, allyl ester; Trifluoroacetic acid, 2-propenyl ester

IUPAC Name

prop-2-enyl 2,2,2-trifluoroacetate

Canonical SMILES

C=CCOC(=O)C(F)(F)F

InChI

InChI=1S/C5H5F3O2/c1-2-3-10-4(9)5(6,7)8/h2H,1,3H2

InChI Key

XIVPVSIDXBTZLM-UHFFFAOYSA-N

Boiling Point

66 °C

Flash Point

30.2 °CF - closed cup

Purity

>95.0%(GC)

Density

1.183

Appearance

Colorless to Almost colorless clear liquid

Refractive Index

n20/D 1.335 (lit.)

Safety Information

Hazards

H225:
Highly flammable liquid and vapour.
H314:
Causes severe skin burns and eye damage.

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

1.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

154.02416388 g/mol

Monoisotopic Mass

154.02416388 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

138

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

The molarity calculator equation

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

Mass

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

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ALLYL TRIFLUOROACETATE

Product Information

Safety Information

Computed Properties

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