Diethyl 4-(trifluoromethyl)benzylphosphonate

Inquiry

Molecular Formula:

C12H16F3O3P

Molecular Weight:

296.22

CAS Number:

99578-68-4

Catalog Number:

99578-68-4

Product Information

Molecular Formula:

C12H16F3O3P

Molecular Weight:

296.22

Description

Diethyl 4-(trifluoromethyl)benzylphosphonate (CAS# 99578-68-4 ) is a useful research chemical.

Synonyms

1-(diethoxyphosphorylmethyl)-4-(trifluoromethyl)benzene

IUPAC Name

1-(diethoxyphosphorylmethyl)-4-(trifluoromethyl)benzene

Canonical SMILES

CCOP(=O)(CC1=CC=C(C=C1)C(F)(F)F)OCC

InChI

InChI=1S/C12H16F3O3P/c1-3-17-19(16,18-4-2)9-10-5-7-11(8-6-10)12(13,14)15/h5-8H,3-4,9H2,1-2H3

InChI Key

NTQKMIQYHZLRSW-UHFFFAOYSA-N

Flash Point

Not applicable

Purity

97 %

Density

1.227 g/mL at 25 °C

Refractive Index

n20/D 1.456

LogP

4.47150

Computed Properties

XLogP3

2.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

296.07891585 g/mol

Monoisotopic Mass

296.07891585 g/mol

Topological Polar Surface Area

35.5Å²

Heavy Atom Count

Formal Charge

Complexity

302

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)

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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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Diethyl 4-(trifluoromethyl)benzylphosphonate

Product Information

Computed Properties

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