13050-59-4

Basic information

• Product Name: butyl 3,4-dichlorobenzoate
• CAS NO: 13050-59-4
• Molecular Formula: C₁₁H₁₂Cl₂O₂
• Molecular Weight: 247.1178
• Mol File: 13050-59-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 312.4°C at 760 mmHg
• Flash Point: 122.8°C
• Density: 1.23g/cm³
• Vapor Pressure: 0.000529mmHg at 25°C
• Refractive Index: 1.526
• CAS DataBase Reference: butyl 3,4-dichlorobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: butyl 3,4-dichlorobenzoate(13050-59-4)
• EPA Substance Registry System: butyl 3,4-dichlorobenzoate(13050-59-4)

Safety Data

• Hazardous Substances Data: 13050-59-4(Hazardous Substances Data)

Upstream product

• 3218-49-3 3,4-dichloro-benzeneacetonitrile 
• 71-36-3 butan-1-ol 

Relevant articles and documents

Fe-Catalyzed Aerobic Oxidative C-CN Bond Cleavage of Arylacetonitriles Leading to Various Esters

Fe-catalyzed aerobic oxidative esterifications of arylacetonitriles with alcohols, tri alkoxsilanes, silicate esters, or borate esters have been developed. The acyl groups which were in situ generated via chemoselective C(CO)-CN bond cleavage were directly used as electrophiles, leading to corresponding aryl esters in good to excellent yields under molecular oxygen when attacked by alcohols or alcohol surrogates. Dioxygen serves as both oxidant and reactant in this protocol. The reaction has a very broad substrate scope. Cheap starting materials as well as environmentally benign and inexpensive iron catalyst and ideal oxidant O2 feature this transformation and make it a practical and sustainable protocol to afford esters.