3,4-Dichlorophenyl isocyanate

3,4-Dichlorophenyl isocyanate

Names
IUPAC name 1,2-Dichloro-4-isocyanatobenzene
Other names Isocyanic acid, 3,4-dichlorophenyl ester
Identifiers
CAS Number	102-36-3 Y
3D model (JSmol)	Interactive image
ChemSpider	7325
ECHA InfoCard	100.002.752
PubChem CID	7607
UNII	OZW0B7F1DU Y
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
SMILES 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

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