4-Bromophenyl isothiocyanate

CAS Registry Number®

1985-12-2

CAS Name

4-Bromophenyl isothiocyanate

Molecular Formula

C7H4BrNS

Molecular Mass

214.08

Cite this Page

4-Bromophenyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1985-12-2 (retrieved 2024-11-25) (CAS RN: 1985-12-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    140 °C @ Press: 13 Torr
  • Melting Point (2)

    60-61 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H4BrNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

InChIKey

InChIKey=XQACWEBGSZBLRG-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-bromo-4-isothiocyanato-
  • Isothiocyanic acid, p-bromophenyl ester
  • 1-Bromo-4-isothiocyanatobenzene
  • p-Bromophenyl isothiocyanate
  • 4-Bromophenyl isothiocyanate

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