2-Methoxy-5-(trifluoromethoxy)benzonitrile

Base Information

• Chemical Name: 2-Methoxy-5-(trifluoromethoxy)benzonitrile
• CAS No.: 886500-03-4
• Molecular Formula: C9H6 F3 N O2
• Molecular Weight: 217.14
• Hs Code.: 2926909090
• European Community (EC) Number: 642-760-1
• DSSTox Substance ID: DTXSID80407573
• Wikidata: Q82212877
• Mol file: 886500-03-4.mol

Synonyms:2-methoxy-5-(trifluoromethoxy)benzonitrile;886500-03-4;2-(Methoxy)-5-(trifluoromethoxy)benzonitrile;MFCD04115963;2-methoxy-5-trifluoromethoxybenzonitrile;DTXSID80407573;CL9481;AKOS005254316;AS-46366;3-(3-Chlorophenyl)-1-hydroxy-1-phenylurea;FT-0758785

Chemical Property of 2-Methoxy-5-(trifluoromethoxy)benzonitrile

Chemical Property:

• Vapor Pressure: 0.0281mmHg at 25°C
• Refractive Index: 1.464
• Boiling Point: 245.8°C at 760 mmHg
• Flash Point: 102.5°C
• PSA: 42.25000
• Density: 1.34g/cm³
• LogP: 2.46548
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 217.03506292
• Heavy Atom Count: 15
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

2-Methoxy-5-(trifluoromethoxy)benzonitrile ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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