Benzene, 1-chloro-3-isothiocyanato-2-methyl-

CAS Registry Number®

19241-35-1
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CAS Name

Benzene, 1-chloro-3-isothiocyanato-2-methyl-

Molecular Formula

C8H6ClNS

Molecular Mass

183.66

Cite this Page

Benzene, 1-chloro-3-isothiocyanato-2-methyl-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=19241-35-1 (retrieved 2024-05-04) (CAS RN: 19241-35-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    99 °C @ Press: 2-3 Torr

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=ZXEZATIRZLJXFU-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

S=C=NC=1C=CC=C(Cl)C1C

Other Names for this Substance

  • Benzene, 1-chloro-3-isothiocyanato-2-methyl-
  • Isothiocyanic acid, 3-chloro-o-tolyl ester
  • Toluene, 2-chloro-6-isothiocyanato-
  • 3-Chloro-o-tolyl isothiocyanate
  • 3-Chloro-2-methylphenyl isothiocyanate

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