Butanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester

Base Information

• Chemical Name: Butanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester
• CAS No.: 67205-54-3
• Molecular Formula: C11H7Cl4NO2
• Molecular Weight: 326.9908
• DSSTox Substance ID: DTXSID50217505
• Wikidata: Q83094040
• ChEMBL ID: CHEMBL3248188

Synonyms:4-Cyano-2,3,5,6-tetrachlorophenyl butanoate;Butanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester;67205-54-3;C11H7Cl4NO2;CHEMBL3248188;DTXSID50217505;LS-46209

Chemical Property of Butanoic acid, 4-cyano-2,3,5,6-tetrachlorophenyl ester

Chemical Property:

• Vapor Pressure: 3.57E-07mmHg at 25°C
• Boiling Point: 417.3°Cat760mmHg
• Flash Point: 206.2°C
• Density: 1.53g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 326.920139
• Heavy Atom Count: 18
• Complexity: 340

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl

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