2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile

Base Information

• Chemical Name: 2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile
• CAS No.: 13600-42-5
• Molecular Formula: C7HCl2F3N2
• Molecular Weight: 241
• Hs Code.: 2933399090
• European Community (EC) Number: 670-849-5
• DSSTox Substance ID: DTXSID50371555
• Wikidata: Q72468461
• Mol file: 13600-42-5.mol

Synonyms:13600-42-5;2,6-dichloro-4-(trifluoromethyl)nicotinonitrile;3-Cyano-2,6-dichloro-4-(trifluoromethyl)pyridine;2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile;2,6-DICHLORO-3-CYANO-4-TRIFLUOROMETHYLPYRIDINE;MFCD00084977;3-Pyridinecarbonitrile, 2,6-dichloro-4-(trifluoromethyl)-;2,6-dichloro-4-trifluoromethyl-nicotinonitrile;3-cyano-2,6-dichloro-4-trifluoromethylpyridine;SCHEMBL1624009;DTXSID50371555;BCP27569;BBL100577;CL0197;STL554371;AKOS005069541;AC-9584;CS-W002350;SB52226;BP-10369;SY025846;A2910;AM20050796;FT-0615541;2,6-Dichloro4-trifluoromethyl-nicotinonitrile;11X-0804;J-507426;2,6-dichloro-4-(trifluoromethyl)-3-pyridinecarbonitrile

Chemical Property of 2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 0.0461mmHg at 25°C
• Melting Point: 38 °C
• Refractive Index: 1.456
• Boiling Point: 282.4 °C at 760 mmHg
• PKA: -6.82±0.10(Predicted)
• Flash Point: 124.6 °C
• PSA: 36.68000
• Density: 1.63 g/cm³
• LogP: 3.27888
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 239.9468879
• Heavy Atom Count: 14
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

3-Cyano-2,6-dichloro-4-trifluoromethylpyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, Xi, Xn
• Hazard Codes: T,Xi,Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C(=C(N=C1Cl)Cl)C#N)C(F)(F)F
• Uses: 3-Cyano-2,6-dichloro-4-trifluoromethylpyridine is used as a reagent in the synthesis of cyano(trifluoromethyl)aminopyridine derivatives which are used as androgen receptor antagonists for stimulating hair growth and reducing sebum production. 3-Cyano-2,6-dichloro-4-trifluoromethylpyridine is also used in the preparation of novel analogs of marine indole alkaloids which are used as potential anticancer agents.