3-[3,5-Bis(trifluoromethyl)phenyl]acrylonitrile

Base Information

• Chemical Name: 3-[3,5-Bis(trifluoromethyl)phenyl]acrylonitrile
• CAS No.: 175136-63-7
• Molecular Formula: C11H5F6N
• Molecular Weight: 265.15
• Hs Code.: 2926909090
• European Community (EC) Number: 671-971-1
• Wikidata: Q76310514
• Mol file: 175136-63-7.mol

Synonyms:175136-63-7;3-(3,5-Bis(trifluoromethyl)phenyl)acrylonitrile;3-[3,5-Bis(trifluoromethyl)phenyl]acrylonitrile;1027717-63-0;(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enenitrile;(2E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enenitrile;(E)-3-(3,5-bis(trifluoromethyl)phenyl)acrylonitrile;3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enenitrile;2-Propenenitrile, 3-[3,5-bis(trifluoromethyl)phenyl]-;SCHEMBL3594419;HMS549P03;XZINYAZSRZTYPY-OWOJBTEDSA-N;CCG-56493;MFCD00051605;AKOS000121143;AKOS025310024;FS-5017;CS-0266329;EN300-26034;A811758;EN300-23876698;SR-01000645445-1;2-Propenenitrile,3-[3,5-bis(trifluoromethyl)phenyl]-

Chemical Property of 3-[3,5-Bis(trifluoromethyl)phenyl]acrylonitrile

Chemical Property:

• Vapor Pressure: 0.0262mmHg at 25°C
• Melting Point: 80 °C
• Refractive Index: 1.457
• Boiling Point: 247 °C at 760 mmHg
• Flash Point: 103.2 °C
• PSA: 23.79000
• Density: 1.389 g/cm³
• LogP: 4.26098
• Storage Temp.: 2-8°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 265.03261814
• Heavy Atom Count: 18
• Complexity: 336

Purity/Quality:

97% ^*data from raw suppliers

3-[3,5-Bis(trifluoromethyl)phenyl]acrylonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C=CC#N
• Isomeric SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)/C=C/C#N
• Use Description: 3,5-Bis(trifluoromethyl)cinnamonitrile, a chemical compound, has diverse applications across various fields. In the field of organic chemistry, it serves as a valuable intermediate for the synthesis of complex organic molecules, potentially contributing to the development of pharmaceuticals, agrochemicals, and specialty chemicals due to its versatile structure. In the realm of materials science, 3,5-BIS(TRIFLUOROMETHYL)CINNAMONITRILE may be employed as a building block for the creation of specialized materials, such as polymers or coatings, with unique properties for applications ranging from electronics to catalysis. Additionally, in analytical chemistry, it can be used as a reference compound or standard for the characterization and quantification of related chemicals, aiding in chemical analysis and research. Its adaptability as a pharmaceutical intermediate, materials precursor, and analytical reference underscores its significance in advancing drug development, materials science, and chemical research in various fields.

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