Diethyl P-[(3-cyanophenyl)methyl]phosphonate

CAS Registry Number®

54049-93-3
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CAS Name

Diethyl P-[(3-cyanophenyl)methyl]phosphonate

Molecular Formula

C12H16NO3P

Molecular Mass

253.23

Cite this Page

Diethyl P-[(3-cyanophenyl)methyl]phosphonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54049-93-3 (retrieved 2024-07-22) (CAS RN: 54049-93-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    138-140 °C @ Press: 0.1 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H16NO3P/c1-3-15-17(14,16-4-2)10-12-7-5-6-11(8-12)9-13/h5-8H,3-4,10H2,1-2H3

InChIKey

InChIKey=ZPUYDPWWJCNLFT-UHFFFAOYSA-N

SMILES

C(P(OCC)(OCC)=O)C1=CC(C#N)=CC=C1

Canonical SMILES

N#CC1=CC=CC(=C1)CP(=O)(OCC)OCC

Other Names for this Substance

  • Phosphonic acid, P-[(3-cyanophenyl)methyl]-, diethyl ester
  • Phosphonic acid, [(3-cyanophenyl)methyl]-, diethyl ester
  • Phosphonic acid, (m-cyanobenzyl)-, diethyl ester
  • Diethyl P-[(3-cyanophenyl)methyl]phosphonate
  • Diethyl (3-cyanobenzyl)phosphonate

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Deleted or Replaced CAS Registry Numbers

104508-30-7