2-(4,5-Bis(benzyloxy)-2-nitrophenyl)acetonitrile

Base Information

• Chemical Name: 2-(4,5-Bis(benzyloxy)-2-nitrophenyl)acetonitrile
• CAS No.: 117568-27-1
• Molecular Formula: C22H18 N2 O4
• Molecular Weight: 374.39
• Hs Code.: 2926909090
• European Community (EC) Number: 410-970-0
• DSSTox Substance ID: DTXSID70447867
• Wikidata: Q82266760
• Mol file: 117568-27-1.mol

Synonyms:2-(4,5-Bis(benzyloxy)-2-nitrophenyl)acetonitrile;117568-27-1;2-[2-nitro-4,5-bis(phenylmethoxy)phenyl]acetonitrile;EC 410-970-0;[4,5-Bis(benzyloxy)-2-nitrophenyl]acetonitrile;2-NITRO-4,5-BIS(BENZYLOXY)PHENYLACETONITRILE;SCHEMBL8967901;DTXSID70447867;DPVIYAXAQYTSRV-UHFFFAOYSA-N;AKOS015891335;2-nitro-4,5-dibenzyloxyphenylacetonitrile;CS-0441567;A893329

Chemical Property of 2-(4,5-Bis(benzyloxy)-2-nitrophenyl)acetonitrile

Chemical Property:

• Boiling Point: 582.3±45.0 °C(Predicted)
• PSA: 88.07000
• Density: 1.261±0.06 g/cm3(Predicted)
• LogP: 5.34208
• Storage Temp.: 2-8°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 374.12665706
• Heavy Atom Count: 28
• Complexity: 528

Purity/Quality:

99.9% ^*data from raw suppliers

2-(4,5-Bis(benzyloxy)-2-nitrophenyl)acetonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Statements: 53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=C(C=C(C(=C2)CC#N)[N+](=O)[O-])OCC3=CC=CC=C3