3-Fluorophenyl isothiocyanate

CAS Registry Number®

404-72-8

CAS Name

3-Fluorophenyl isothiocyanate

Molecular Formula

C7H4FNS

Molecular Mass

153.18

Cite this Page

3-Fluorophenyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=404-72-8 (retrieved 2024-11-23) (CAS RN: 404-72-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    227 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C7H4FNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H

InChIKey

InChIKey=HDBACITVPQEAGG-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

FC1=CC=CC(N=C=S)=C1

Other Names for this Substance

  • Benzene, 1-fluoro-3-isothiocyanato-
  • Isothiocyanic acid, m-fluorophenyl ester
  • 1-Fluoro-3-isothiocyanatobenzene
  • 3-Fluorophenyl isothiocyanate
  • m-Fluorophenyl isothiocyanate

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Deleted or Replaced CAS Registry Numbers

1619287-33-0, 2124236-52-6, 2484718-20-7

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