Benzeneacetyl isothiocyanate

CAS Registry Number®

29313-32-4

CAS Name

Benzeneacetyl isothiocyanate

Molecular Formula

C9H7NOS

Molecular Mass

177.22

Cite this Page

Benzeneacetyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29313-32-4 (retrieved 2024-11-23) (CAS RN: 29313-32-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    86 °C @ Press: 0.6 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H7NOS/c11-9(10-7-12)6-8-4-2-1-3-5-8/h1-5H,6H2

InChIKey

InChIKey=ZFJOLNZPELDZNC-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(N=C=S)CC=1C=CC=CC1

Other Names for this Substance

  • Benzeneacetyl isothiocyanate
  • Acetic acid, phenyl-, anhydride with isothiocyanic acid
  • Isothiocyanic acid, anhydride with phenylacetic acid
  • Phenylacetyl isothiocyanate
  • 2-Phenylacetyl isothiocyanate

Deleted or Replaced CAS Registry Numbers

2241354-05-0

CAS INSIGHTSTM
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