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Diethyl allylphosphonate

Diethyl allylphosphonate

Name: Diethyl allylphosphonate
Brand: BOC Sciences
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Molecular Formula:

C7H15O3P

Molecular Weight:

178.17

CAS Number:

1067-87-4

Catalog Number:

1067-87-4

Product Information

Molecular Formula:

C7H15O3P

Molecular Weight:

178.17

Description

Diethyl allylphosphonate (CAS# 1067-87-4 ) is a useful research chemical.

Synonyms

3-Diethoxyphosphorylprop-1-ene; Phosphonic acid, 2-propenyl-, diethyl ester; ACMC-1BPRN; 2-Propenyl-phosphonic acid diethyl ester; Allylphosphonic acid diethyl; Diethyl (prop-2-en-1-yl)phosphonate; AKOS003600270; Phosphonic acid,P-2-propen-1-yl-, diethyl ester

IUPAC Name

3-diethoxyphosphorylprop-1-ene

Canonical SMILES

CCOP(=O)(CC=C)OCC

InChI

InChI=1S/C7H15O3P/c1-4-7-11(8,9-5-2)10-6-3/h4H,1,5-7H2,2-3H3

InChI Key

YPJHXRAHMUKXAE-UHFFFAOYSA-N

Boiling Point

46 °C0.35 mmHg (lit.)

Flash Point

106 °C

Purity

95 %

Density

1.035 g/cm³

Appearance

Clear colorless liquid

Refractive Index

1.43

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

0.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

178.07588133 g/mol

Monoisotopic Mass

178.07588133 g/mol

Topological Polar Surface Area

35.5Å²

Heavy Atom Count

Formal Charge

Complexity

146

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 allylphosphonate

Product Information

Safety Information

Computed Properties

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