1,3,5-Trichloro-2-isothiocyanatobenzene

CAS Registry Number®

22134-07-2
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CAS Name

1,3,5-Trichloro-2-isothiocyanatobenzene

Molecular Formula

C7H2Cl3NS

Molecular Mass

238.52

Cite this Page

1,3,5-Trichloro-2-isothiocyanatobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=22134-07-2 (retrieved 2024-04-27) (CAS RN: 22134-07-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    80-81 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H2Cl3NS/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H

InChIKey

InChIKey=DSXVZIOQROMOEF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1,3,5-trichloro-2-isothiocyanato-
  • Isothiocyanic acid, 2,4,6-trichlorophenyl ester
  • 1,3,5-Trichloro-2-isothiocyanatobenzene
  • 2,4,6-Trichlorophenyl isothiocyanate

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