Benzene, 1-fluoro-4-(2-isothiocyanatoethyl)-

CAS Registry Number®

2740-86-5
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CAS Name

Benzene, 1-fluoro-4-(2-isothiocyanatoethyl)-

Molecular Formula

C9H8FNS

Molecular Mass

181.23

Cite this Page

Benzene, 1-fluoro-4-(2-isothiocyanatoethyl)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2740-86-5 (retrieved 2024-05-17) (CAS RN: 2740-86-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    135-139 °C @ Press: 12 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H8FNS/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4H,5-6H2

InChIKey

InChIKey=ZNXRFHTVDQAAAB-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-fluoro-4-(2-isothiocyanatoethyl)-
  • Isothiocyanic acid, p-fluorophenethyl ester
  • 1-Fluoro-4-(2-isothiocyanatoethyl)benzene

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