5-(2-Aminoethyl)-2-fluorobenzonitrile

Base Information

• Chemical Name: 5-(2-Aminoethyl)-2-fluorobenzonitrile
• CAS No.: 870849-70-0
• Molecular Formula: C9H9 F N2
• Molecular Weight: 164.18
• DSSTox Substance ID: DTXSID00699433
• Wikidata: Q82630353
• Mol file: 870849-70-0.mol

Synonyms:5-(2-aminoethyl)-2-fluorobenzonitrile;SCHEMBL1240018;DTXSID00699433;EN300-1865535;1379911-96-2

Chemical Property of 5-(2-Aminoethyl)-2-fluorobenzonitrile

Chemical Property:

• Vapor Pressure: 0.0237mmHg at 25°C
• Boiling Point: 248.8°C at 760 mmHg
• Flash Point: 104.3°C
• PSA: 49.81000
• Density: 1.15g/cm³
• LogP: 2.41738
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 164.07497646
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

98% ^*data from raw suppliers

5-[(1S)-1-AMINOETHYL]-2-FLUORO-BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CCN)C#N)F