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
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;
	SMILES 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
Signal word	Warning
Hazard statements	H302, H332
Precautionary statements	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

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

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.

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[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.