Chemical Property of 4-Bromobenzonitrile
Chemical Property:
- Appearance/Colour:white to light yellow powder or flakes
- Vapor Pressure:0.046mmHg at 25°C
- Melting Point:110-115 °C(lit.)
- Refractive Index:1.606
- Boiling Point:236.796 °C at 760 mmHg
- Flash Point:97.011 °C
- PSA：23.79000
- Density:1.609 g/cm3
- LogP:2.32078
- Storage Temp.:Store below +30°C.
- Solubility.:0.2g/l
- Water Solubility.:Very slightly soluble in water(0.2g/L). Soluble in alcohol and ether.
- XLogP3:2.6
- Hydrogen Bond Donor Count:0
- Hydrogen Bond Acceptor Count:1
- Rotatable Bond Count:0
- Exact Mass:180.95271
- Heavy Atom Count:9
- Complexity:127
- Purity/Quality:
-
99% *data from raw suppliers
4-Bromobenzonitrile *data from reagent suppliers
Safty Information:
- Pictogram(s):
Xn, 
T, 
Xi
- Hazard Codes:Xn,T,Xi
- Statements:
22-36/37/38-20/21/22
- Safety Statements:
61-36/37/39-26-24/25
- MSDS Files:
-
SDS file from LookChem
Total 1 MSDS from other Authors
Useful:
- Canonical SMILES:C1=CC(=CC=C1C#N)Br
-
Uses
4- Bromobenzonitrile is classified as organic nitriles, which are commonly use solvents and are reacted further for various applications such as manufacture of polymers and intermediates for pharmaceu
ticals and other organic chemicals, 4-Bromobenzonitrile is used as reagents and solvents. Reaction of 2-propanol, 4-bromobenzonitrile, and NaH in the presence of 1.5 mol % Pd2(dba)3 and 3 mol % (S)-(-)2,2?-bis(di-p-tolylphosphino)- 1,1?-binaphthyl at 50°C afforded 4-isopropoxy- benzonitrile in 80% isolated yield. The synthesis of 4-cyanobiphenyl at room temperature in a flow injection microreactor, using a supported catalyst, without the addition of a base gave a product yield of 67±7% (n=6). This was achieved by injecting 4-bromobenzonitrile. The 3-arylation of 2,5-dimethylthiophene with 4-bromopropiophenone, 4-trifluoromethylbromobenzene or 4-bromobenzonitrile gave 3-5 in only 38-50% yields in Palladium-catalysed direct 3-or 4-arylation of thiophene derivatives using aryl bromides.
