3,4-Dichlorophenyl isocyanate

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.

3,4-Dichlorophenyl isocyanate
Names
Preferred IUPAC name
1,2-Dichloro-4-isocyanatobenzene
Other names
Isocyanic acid, 3,4-dichlorophenyl ester
Identifiers
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.002.752
UNII
  • 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
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

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.
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