2,6-Dichlorophenyl isothiocyanate

CAS Registry Number®

6590-95-0

CAS Name

2,6-Dichlorophenyl isothiocyanate

Molecular Formula

C7H3Cl2NS

Molecular Mass

204.08

Cite this Page

2,6-Dichlorophenyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6590-95-0 (retrieved 2024-11-28) (CAS RN: 6590-95-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    128-133 °C @ Press: 2 Torr

  • Melting Point (2)

    42-43 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H3Cl2NS/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H

InChIKey

InChIKey=SUCGVQHNGIQXGD-UHFFFAOYSA-N

SMILES

N(=C=S)C1=C(Cl)C=CC=C1Cl

Canonical SMILES

S=C=NC=1C(Cl)=CC=CC1Cl

Other Names for this Substance

  • Benzene, 1,3-dichloro-2-isothiocyanato-
  • Isothiocyanic acid, 2,6-dichlorophenyl ester
  • 1,3-Dichloro-2-isothiocyanatobenzene
  • 2,6-Dichlorophenyl isothiocyanate

CAS INSIGHTSTM
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