Phosphor(isothiocyanatidic) acid, diphenyl ester

CAS Registry Number®

5401-14-9

CAS Name

Phosphor(isothiocyanatidic) acid, diphenyl ester

Molecular Formula

C13H10NO3PS

Molecular Mass

291.26

Cite this Page

Phosphor(isothiocyanatidic) acid, diphenyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5401-14-9 (retrieved 2024-11-22) (CAS RN: 5401-14-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    105 °C @ Press: 0.1 Torr

  • Density (1)

    1.2877 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H10NO3PS/c15-18(14-11-19,16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13/h1-10H

InChIKey

InChIKey=QYGWFFSAYBRMHH-UHFFFAOYSA-N

SMILES

P(OC1=CC=CC=C1)(OC2=CC=CC=C2)(N=C=S)=O

Canonical SMILES

O=P(N=C=S)(OC=1C=CC=CC1)OC=2C=CC=CC2

Other Names for this Substance

  • Phosphor(isothiocyanatidic) acid, diphenyl ester
  • Phenyl phosphor(isothiocyanatidate)
  • Diphenoxyphosphinyl isothiocyanate
  • Diphenyl phosphoroisothiocyanatidate
  • NSC 4756

CAS INSIGHTSTM
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