3-(4-Boronophenyl)-2-propenoic acid

Base Information

• Chemical Name: 3-(4-Boronophenyl)-2-propenoic acid
• CAS No.: 151169-68-5
• Molecular Formula: C9H9 B O4
• Molecular Weight: 191.979
• DSSTox Substance ID: DTXSID201293123
• Mol file: 151169-68-5.mol

Synonyms:SCHEMBL1234179;IEMLKNHGGSYOMP-UHFFFAOYSA-N;DTXSID201293123;3-(4-boronophenyl)-2-propenoic acid;AB08168;PD042516;FT-0616519;FT-0616521

Chemical Property of 3-(4-Boronophenyl)-2-propenoic acid

Chemical Property:

• Vapor Pressure: 1.75E-08mmHg at 25°C
• Melting Point: 203-205°C
• Refractive Index: 1.591
• Boiling Point: 439°Cat760mmHg
• PKA: 4.40±0.10(Predicted)
• Flash Point: 219.3°C
• PSA: 77.76000
• Density: 1.33g/cm³
• LogP: -0.53580
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 192.0593889
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Boronophenyl)acrylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)C=CC(=O)O)(O)O