2-[(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1,1-dimethylnonyloxy) carbonyloxyimino]-2-phenylacetonitrile

Base Information

• Chemical Name: 2-[(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1,1-dimethylnonyloxy) carbonyloxyimino]-2-phenylacetonitrile
• CAS No.: 892154-76-6
• Molecular Formula: C20H15F13N2O3
• Molecular Weight: 578.32
• European Community (EC) Number: 693-620-1
• Mol file: 892154-76-6.mol

Synonyms:892154-76-6;N-((((5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-2-methyldecan-2-yl)oxy)carbonyl)oxy)benzimidoyl cyanide;2-[(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1,1-dimethylnonyloxy) carbonyloxyimino]-2-phenylacetonitrile;[(E)-[cyano(phenyl)methylidene]amino] (5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldecan-2-yl) carbonate;2-[(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1,1-dimethylnonyloxy) carbonyloxyimino]-2-phenylacetonitrile, >=95% (NMR)

Chemical Property of 2-[(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1,1-dimethylnonyloxy) carbonyloxyimino]-2-phenylacetonitrile

Chemical Property:

• Boiling Point: 399.3±52.0 °C(Predicted)
• PSA: 71.68000
• Density: 1.40±0.1 g/cm3(Predicted)
• LogP: 7.36508
• XLogP3: 8.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 12
• Exact Mass: 578.0875085
• Heavy Atom Count: 38
• Complexity: 930

Purity/Quality:

98%Min ^*data from raw suppliers

2-[(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1,1-dimethylnonyloxy) carbonyloxyimino]-2-phenylacetonitrile ≥95% (NMR) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)ON=C(C#N)C1=CC=CC=C1
• Isomeric SMILES: CC(C)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)O/N=C(/C#N)\C1=CC=CC=C1