(4-Fluorophenyl)methyl thiocyanate

CAS Registry Number®

2740-87-6

CAS Name

(4-Fluorophenyl)methyl thiocyanate

Molecular Formula

C8H6FNS

Molecular Mass

167.20

Cite this Page

(4-Fluorophenyl)methyl thiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2740-87-6 (retrieved 2024-10-06) (CAS RN: 2740-87-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    132-133 °C @ Press: 12 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H6FNS/c9-8-3-1-7(2-4-8)5-11-6-10/h1-4H,5H2

InChIKey

InChIKey=KNPKUMPACMQXGD-UHFFFAOYSA-N

SMILES

C(SC#N)C1=CC=C(F)C=C1

Canonical SMILES

N#CSCC1=CC=C(F)C=C1

Other Names for this Substance

  • Thiocyanic acid, (4-fluorophenyl)methyl ester
  • Thiocyanic acid, p-fluorobenzyl ester
  • (4-Fluorophenyl)methyl thiocyanate
  • p-Fluorobenzyl thiocyanate

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox