1-Isothiocyanato-4-phenoxybenzene

CAS Registry Number®

3529-87-1

CAS Name

1-Isothiocyanato-4-phenoxybenzene

Molecular Formula

C13H9NOS

Molecular Mass

227.28

Cite this Page

1-Isothiocyanato-4-phenoxybenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3529-87-1 (retrieved 2024-11-24) (CAS RN: 3529-87-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    143 °C @ Press: 0.2 Torr

  • Melting Point (2)

    42 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H9NOS/c16-10-14-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H

InChIKey

InChIKey=ZKITXAAKDFPASL-UHFFFAOYSA-N

SMILES

O(C1=CC=C(N=C=S)C=C1)C2=CC=CC=C2

Canonical SMILES

S=C=NC1=CC=C(OC=2C=CC=CC2)C=C1

Other Names for this Substance

  • Benzene, 1-isothiocyanato-4-phenoxy-
  • Isothiocyanic acid, p-phenoxyphenyl ester
  • 1-Isothiocyanato-4-phenoxybenzene
  • 4-Isothiocyanatodiphenyl ether
  • 4-Phenoxyphenyl isothiocyanate

CAS INSIGHTSTM
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