3-Isocyanatobenzoyl chloride

CAS Registry Number®

5180-79-0

CAS Name

3-Isocyanatobenzoyl chloride

Molecular Formula

C8H4ClNO2

Molecular Mass

181.58

Cite this Page

3-Isocyanatobenzoyl chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5180-79-0 (retrieved 2024-11-22) (CAS RN: 5180-79-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    60-66 °C @ Press: 0.01 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H4ClNO2/c9-8(12)6-2-1-3-7(4-6)10-5-11/h1-4H

InChIKey

InChIKey=WBLVOWAHPPPNLF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C=NC1=CC=CC(=C1)C(=O)Cl

Other Names for this Substance

  • Benzoyl chloride, 3-isocyanato-
  • Isocyanic acid, m-(chloroformyl)phenyl ester
  • m-Isocyanatobenzoyl chloride
  • 3-Isocyanatobenzoyl chloride

CAS INSIGHTSTM
Targeted protein degrader structure, illustration