Isophthalonitrile

Isophthalonitrile
Names
Preferred IUPAC name
Benzene-1,3-dicarbonitrile
Other names
1,3-Dicyanobenzene
Identifiers
CAS Number
  • 626-17-5
3D model (JSmol)
  • Interactive image
ChEBI
  • CHEBI:38218
ChEMBL
  • ChEMBL3182143
ChemSpider
  • 11773
ECHA InfoCard 100.009.940 Edit this at Wikidata
EC Number
  • 210-933-7
PubChem CID
  • 12276
RTECS number
  • CZ1900000
UNII
  • 7G36N0292W
UN number 2811 3276
CompTox Dashboard (EPA)
  • DTXSID7027259
InChI
  • InChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H
    Key: LAQPNDIUHRHNCV-UHFFFAOYSA-N
  • C1=CC(=CC(=C1)C#N)C#N
Properties
Chemical formula
 C8H4N2
Molar mass 128.134 g·mol−1
Melting point 162–163 °C (324–325 °F; 435–436 K)
Boiling point 288 °C (550 °F; 561 K)
Hazards
GHS labelling:
Pictograms
 GHS07: Exclamation mark
Warning
Hazard statements
 H302, H332
P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, P501
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references
Chemical compound

Isophthalonitrile is an organic compound with the formula C6H4(CN)2. Two other isomers exist, phthalonitrile and terephthalonitrile. All three isomers are produced commercially by ammoxidation of the corresponding xylene isomers. Isophthalonitrile is a colorless or white solid with low solubility in water.[1] Hydrogenation of isophthalonitrile affords m-xylylenediamine, a curing agent in epoxy resins and a component of some urethanes.

Safety

LD50 (rat, oral) is 288 mg/kg.

References

  1. ^ Pollak, Peter; Romeder, Gérard; Hagedorn, Ferdinand; Gelbke, Heinz-Peter (2000). "Nitriles". Ullmann's Encyclopedia of Industrial Chemistry. Weinheim: Wiley-VCH. doi:10.1002/14356007.a17_363. ISBN 3527306730.