4-Methoxy-2-(trifluoromethyl)benzonitrile

Base Information

• Chemical Name: 4-Methoxy-2-(trifluoromethyl)benzonitrile
• CAS No.: 875664-48-5
• Molecular Formula: C9H6F3NO
• Molecular Weight: 201.15
• Hs Code.: 2926909090
• European Community (EC) Number: 642-628-3
• DSSTox Substance ID: DTXSID80382472
• Wikidata: Q82173830
• Mol file: 875664-48-5.mol

Synonyms:4-methoxy-2-(trifluoromethyl)benzonitrile;875664-48-5;MFCD06797342;SCHEMBL13012268;DTXSID80382472;DHKXZIATRUKFMT-UHFFFAOYSA-N;AKOS005257740;CS-W015561;4-Methoxy-2-trifluoromethyl-benzonitrile;AC-26099;SY096629;A20988;EN300-328522;F13723

Chemical Property of 4-Methoxy-2-(trifluoromethyl)benzonitrile

Chemical Property:

• Vapor Pressure: 0.00797mmHg at 25°C
• Refractive Index: 1.463
• Boiling Point: 267.8 °C at 760 mmHg
• Flash Point: 115.8 °C
• PSA: 33.02000
• Density: 1.3g/cm³
• LogP: 2.58568
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 201.04014830
• Heavy Atom Count: 14
• Complexity: 242

Purity/Quality:

98%min ^*data from raw suppliers

4-Methoxy-2-(trifluoromethyl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)C#N)C(F)(F)F