3,4-Dichlorophenyl isocyanate

3,4-Dichlorophenyl isocyanate
Names
Preferred IUPAC name
1,2-Dichloro-4-isocyanatobenzene
Other names
Isocyanic acid, 3,4-dichlorophenyl ester
Identifiers
CAS Number
  • 102-36-3 checkY
3D model (JSmol)
  • Interactive image
ChemSpider
  • 7325
ECHA InfoCard 100.002.752 Edit this at Wikidata
PubChem CID
  • 7607
UNII
  • OZW0B7F1DU checkY
CompTox Dashboard (EPA)
  • DTXSID9033008 Edit this at Wikidata
InChI
  • InChI=1S/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
    Key: MFUVCHZWGSJKEQ-UHFFFAOYSA-N
  • InChI=1/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
    Key: MFUVCHZWGSJKEQ-UHFFFAOYAC
  • Clc1ccc(/N=C=O)cc1Cl
Properties
Chemical formula
 C7H3Cl2NO
Molar mass 188.01 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references
Chemical compound

3,4-Dichlorophenyl isocyanate is a chemical compound used as a chemical intermediate and in organic synthesis. It is a solid, and ranges in colour from white to yellow. It is an irritant for tissues including eyes and mucous membranes, and inhalation of dust from the chemical is poisonous.[1] It can be used industrially in the preparation of triclocarban by reaction with p-chloroaniline.

It is classified as an extremely hazardous substance in the United States as defined in Section 302 of the U.S. Emergency Planning and Community Right-to-Know Act (42 U.S.C. 11002), and is subject to strict reporting requirements by facilities which produce, store, or use it in significant quantities.[2]

References

  1. ^ Isocyanic acid, 3,4-dichlorophenyl ester at www.chemicalbook.com.
  2. ^ "40 C.F.R.: Appendix A to Part 355—The List of Extremely Hazardous Substances and Their Threshold Planning Quantities" (PDF) (July 1, 2008 ed.). Government Printing Office. Archived from the original (PDF) on February 25, 2012. Retrieved October 29, 2011.