Home
Products
Monomers
Allyl Monomers
ALLYL TRIFLUOROACETATE

ALLYL TRIFLUOROACETATE

Name: ALLYL TRIFLUOROACETATE
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

Molecular Formula:

C5H5F3O2

Molecular Weight:

154.09

CAS Number:

383-67-5

Catalog Number:

BPM-020577

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

Concentration

Volume

Molecular Weight *

Calculate

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)

Calculate

ALLYL TRIFLUOROACETATE

Product Information

Safety Information

Computed Properties

Related Products