Benzothiazolium, 2-chloro-3-methyl-, 1,1,1-trifluoromethanesulfonate (1:1)

CAS Registry Number®

61765-15-9

CAS Name

Benzothiazolium, 2-chloro-3-methyl-, 1,1,1-trifluoromethanesulfonate (1:1)

Molecular Formula

C8H7ClNS.CF3O3S

Cite this Page

Benzothiazolium, 2-chloro-3-methyl-, 1,1,1-trifluoromethanesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=61765-15-9 (retrieved 2024-11-22) (CAS RN: 61765-15-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    130 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C8H7ClNS.CHF3O3S/c1-10-6-4-2-3-5-7(6)11-8(10)9;2-1(3,4)8(5,6)7/h2-5H,1H3;(H,5,6,7)/q+1;/p-1

InChIKey

InChIKey=LWYSMSHCTRLEHY-UHFFFAOYSA-M

SMILES

C[N+]=1C=2C(SC1Cl)=CC=CC2.C(S(=O)(=O)[O-])(F)(F)F

Canonical SMILES

O=S(=O)([O-])C(F)(F)F.ClC=1SC=2C=CC=CC2[N+]1C

Other Names for this Substance

  • Benzothiazolium, 2-chloro-3-methyl-, 1,1,1-trifluoromethanesulfonate (1:1)
  • Benzothiazolium, 2-chloro-3-methyl-, salt with trifluoromethanesulfonic acid (1:1)
  • Methanesulfonic acid, trifluoro-, ion(1-), 2-chloro-3-methylbenzothiazolium
  • 2-Chloro-3-methyl-benzothiazolium trifluoromethanesulfonate
  • 2-Chloro-3-methyl-1,3-benzothiazol-3-ium trifluoromethanesulfonate