4-Cyanophenyl 4-n-hexylbenzoate

• Catalog Number: ACM50793856
• Product Name: 4-Cyanophenyl 4-n-hexylbenzoate
• CAS: 50793-85-6
• Category: Heterocyclic Organic Compound
• Synonyms: 4-Hexyl-benzoicaci4-cyanophenylester
• IUPAC Name: (4-cyanophenyl) 4-hexylbenzoate
• Molecular Weight: 307.39
• Molecular Formula: C20H21NO2
• Canonical SMILES: CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N
• InChI: InChI=1S/C20H21NO2/c1-2-3-4-5-6-16-7-11-18(12-8-16)20(22)23-19-13-9-17(15-21)10-14-19/h7-14H,2-6H2,1H3
• InChI Key: DEUWEGPRKHPNKB-UHFFFAOYSA-N
• Boiling Point: 464.8ºC at 760 mmHg
• Melting Point: 43-47 ºC
• Flash Point: 231.8ºC
• Density: 1.1 g/cm³
• EC Number: 256-767-9
• Exact Mass: 307.15700
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Packing Group: III
• Safety Description: 22-36/37/39