1-Ethoxy-4-isothiocyanatobenzene

CAS Registry Number®

3460-49-9

CAS Name

1-Ethoxy-4-isothiocyanatobenzene

Molecular Formula

C9H9NOS

Molecular Mass

179.24

Cite this Page

1-Ethoxy-4-isothiocyanatobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3460-49-9 (retrieved 2025-04-01) (CAS RN: 3460-49-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    146 °C @ Press: 19 Torr

  • Melting Point (2)

    61.5-63 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9NOS/c1-2-11-9-5-3-8(4-6-9)10-7-12/h3-6H,2H2,1H3

InChIKey

InChIKey=REEKOMRZYJXXNR-UHFFFAOYSA-N

SMILES

N(=C=S)C1=CC=C(OCC)C=C1

Canonical SMILES

S=C=NC1=CC=C(OCC)C=C1

Other Names for this Substance

  • Benzene, 1-ethoxy-4-isothiocyanato-
  • Isothiocyanic acid, p-ethoxyphenyl ester
  • Phenetole, p-isothiocyanato-
  • 1-Ethoxy-4-isothiocyanatobenzene
  • p-Ethoxyphenyl isothiocyanate

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