1-Isothiocyanato-3-methoxybenzene

CAS Registry Number®

3125-64-2
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CAS Name

1-Isothiocyanato-3-methoxybenzene

Molecular Formula

C8H7NOS

Molecular Mass

165.21

Cite this Page

1-Isothiocyanato-3-methoxybenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3125-64-2 (retrieved 2024-04-25) (CAS RN: 3125-64-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    105-106 °C @ Press: 0.45 Torr

  • Density (1)

    1.145 g/cm³ @ Temp: 30 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H7NOS/c1-10-8-4-2-3-7(5-8)9-6-11/h2-5H,1H3

InChIKey

InChIKey=WHBYCPUKGYEYFU-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-isothiocyanato-3-methoxy-
  • Isothiocyanic acid, m-methoxyphenyl ester
  • 1-Isothiocyanato-3-methoxybenzene
  • m-Methoxyphenyl isothiocyanate
  • 3-Methoxyphenyl isothiocyanate

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Deleted or Replaced CAS Registry Numbers

2124236-51-5

CAS INSIGHTSTM
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