2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile

Base Information

• Chemical Name: 2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile
• CAS No.: 151903-53-6
• Molecular Formula: C22H32 N2 O2
• Molecular Weight: 356.5
• DSSTox Substance ID: DTXSID50404897
• Nikkaji Number: J993.216J
• Mol file: 151903-53-6.mol

Synonyms:151903-53-6;2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile;2-[4-(cyanomethyl)-2,5-dihexoxyphenyl]acetonitrile;SCHEMBL6132225;DTXSID50404897;2,5-Bis(hexyloxy)benzene-1,4-diacetonit;AO-289/15480021;2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile, 98%;[4-(cyanomethyl)-2,5-bis(hexyloxy)phenyl]acetonitrile;2,2'-[2,5-Bis(hexyloxy)-1,4-phenylene]diacetonitrile

Chemical Property of 2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile

Chemical Property:

• Melting Point: 93.9-98.2 °C(lit.)
• PSA: 66.04000
• LogP: 5.73696
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 356.246378268
• Heavy Atom Count: 26
• Complexity: 406

Purity/Quality:

97% ^*data from raw suppliers

2,5-Bis(hexyloxy)benzene-1,4-diacetonitrile 98% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=CC(=C(C=C1CC#N)OCCCCCC)CC#N
• Uses: Monomeric precursor for the light-emitting polymer OC6C6-CN-PPV (or DHeO-CN-PPV)