2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile

Base Information

• Chemical Name: 2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile
• CAS No.: 175204-05-4
• Molecular Formula: C12H12 F3 N O2
• Molecular Weight: 259.22
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID90379454
• Wikidata: Q82169269
• Mol file: 175204-05-4.mol

Synonyms:175204-05-4;2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile;2-Isopropoxy-6-(2,2,2-trifluoroethoxy)-benzonitrile;2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)benzonitrile;Benzonitrile, 2-(1-methylethoxy)-6-(2,2,2-trifluoroethoxy)-;CDS1_000797;Maybridge1_005549;DivK1c_001837;HMS557E05;DTXSID90379454;MFCD00068219;AKOS015838549;CCG-246924;FT-0612703;A811898;2-(propan-2-yloxy)-6-(2,2,2-trifluoroethoxy)benzonitrile;2-[(Propan-2-yl)oxy]-6-(2,2,2-trifluoroethoxy)benzonitrile

Chemical Property of 2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile

Chemical Property:

• Vapor Pressure: 0.000182mmHg at 25°C
• Melting Point: 88-90°C
• Refractive Index: 1.465
• Boiling Point: 329°C at 760 mmHg
• Flash Point: 152.8°C
• PSA: 42.25000
• Density: 1.23g/cm³
• LogP: 3.28658
• Storage Temp.: 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 259.08201311
• Heavy Atom Count: 18
• Complexity: 308

Purity/Quality:

97% ^*data from raw suppliers

2-Isopropoxy-6-(2,2,2-trifluoroethoxy)-benzonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 20/21/22
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CC=CC(=C1C#N)OCC(F)(F)F