Benzoic acid, 2-(isocyanatosulfonyl)-, methyl ester

CAS Registry Number®

74222-95-0

CAS Name

Benzoic acid, 2-(isocyanatosulfonyl)-, methyl ester

Molecular Formula

C9H7NO5S

Molecular Mass

241.22

Cite this Page

Benzoic acid, 2-(isocyanatosulfonyl)-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=74222-95-0 (retrieved 2024-11-24) (CAS RN: 74222-95-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    150 °C @ Press: 1 Torr

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C9H7NO5S/c1-15-9(12)7-4-2-3-5-8(7)16(13,14)10-6-11/h2-5H,1H3

InChIKey

InChIKey=HVQWYKPSNHGIDD-UHFFFAOYSA-N

SMILES

S(N=C=O)(=O)(=O)C1=C(C(OC)=O)C=CC=C1

Canonical SMILES

O=C=NS(=O)(=O)C=1C=CC=CC1C(=O)OC

Other Names for this Substance

  • Benzoic acid, 2-(isocyanatosulfonyl)-, methyl ester
  • Methyl 2-(isocyanatosulfonyl)benzoate
  • 2-(Carbomethoxy)benzenesulfonyl isocyanate
  • 2-(Methoxycarbonyl)phenylsulfonyl isocyanate
  • 2-(Methoxycarbonyl)benzenesulfonyl isocyanate

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