4-Cyano-3-(trifluoromethyl)aniline

4-Cyano-3-(trifluoromethyl)aniline
Names
	Preferred IUPAC name 4-Amino-2-(trifluoromethyl)benzonitrile
	Other names 4-Cyano-3-(trifluoromethyl)aniline
Identifiers
CAS Number	654-70-6;
3D model (JSmol)	Interactive image;
ChemSpider	455494;
ECHA InfoCard	100.109.189
EC Number	700-293-1;
PubChem CID	522170;
UNII	L47D9XHC08;
CompTox Dashboard (EPA)	DTXSID80215711 ;
	InChI InChI=1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2 Key: PMDYLCUKSLBUHO-UHFFFAOYSA-N;
	SMILES C1=CC(=C(C=C1N)C(F)(F)F)C#N;
Properties
Chemical formula	C8H5F3N2
Molar mass	186.137 g·mol−1
Hazards
	GHS labelling:[1]
Pictograms
Signal word	Danger
Hazard statements	H301, H302, H311, H315, H317, H319, H330, H335
Precautionary statements	P260, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

4-Cyano-3-(trifluoromethyl)aniline, also known as 4-amino-2-(trifluoromethyl)benzonitrile, is a cyanated and trifluoromethylated derivative of aniline. It is the starting material in one of the chemical syntheses of the nonsteroidal antiandrogen bicalutamide.^[1]

References

^ Tucker H, Crook JW, Chesterson GJ (1988). "Nonsteroidal antiandrogens. Synthesis and structure-activity relationships of 3-substituted derivatives of 2-hydroxypropionanilides". Journal of Medicinal Chemistry. 31 (5): 954–9. doi:10.1021/jm00400a011. PMID 3361581.

[pmid3361581-1] Tucker H, Crook JW, Chesterson GJ (1988). "Nonsteroidal antiandrogens. Synthesis and structure-activity relationships of 3-substituted derivatives of 2-hydroxypropionanilides". Journal of Medicinal Chemistry. 31 (5): 954–9. doi:10.1021/jm00400a011. PMID 3361581.

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