4-Chloro-2-isothiocyanato-1-methylbenzene

CAS Registry Number®

19241-36-2
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CAS Name

4-Chloro-2-isothiocyanato-1-methylbenzene

Molecular Formula

C8H6ClNS

Molecular Mass

183.66

Cite this Page

4-Chloro-2-isothiocyanato-1-methylbenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=19241-36-2 (retrieved 2024-04-28) (CAS RN: 19241-36-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    123 °C @ Press: 8 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H6ClNS/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3

InChIKey

InChIKey=VDBDGAPNWNWUSA-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

S=C=NC1=CC(Cl)=CC=C1C

Other Names for this Substance

  • Benzene, 4-chloro-2-isothiocyanato-1-methyl-
  • Isothiocyanic acid, 5-chloro-o-tolyl ester
  • 4-Chloro-2-isothiocyanato-1-methylbenzene
  • 5-Chloro-o-tolyl isothiocyanate
  • 5-Chloro-2-methylphenyl isothiocyanate

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