4-(2-Cyanoethylaminocarbonyl)phenylboronic acid

Base Information

• Chemical Name: 4-(2-Cyanoethylaminocarbonyl)phenylboronic acid
• CAS No.: 850568-16-0
• Molecular Formula: C10H11BN2O3
• Molecular Weight: 218.02
• Hs Code.: 2931900090
• European Community (EC) Number: 685-588-2
• DSSTox Substance ID: DTXSID40393701
• Wikidata: Q82192580
• Mol file: 850568-16-0.mol

Synonyms:850568-16-0;4-(2-CYANOETHYLAMINOCARBONYL)PHENYLBORONIC ACID;(4-((2-CYANOETHYL)CARBAMOYL)PHENYL)BORONIC ACID;[4-(2-cyanoethylcarbamoyl)phenyl]boronic Acid;{4-[(2-cyanoethyl)carbamoyl]phenyl}boronic acid;SCHEMBL1642670;DTXSID40393701;MFCD04115669;AKOS015836381;AB20360;BS-24295;4-(2-cyanoethylcarbamoyl)phenylboronic acid;CS-0174551;FT-0650885;H11858;A863759;(4-((2-CYANOETHYL)CARBAMOYL)PHENYL)BORONICACID;4-(2-cyanoethylaminocarbonyl)benzeneboronic acid, AldrichCPR

Chemical Property of 4-(2-Cyanoethylaminocarbonyl)phenylboronic acid

Chemical Property:

• Melting Point: 166-170 °C
• Refractive Index: 1.562
• PKA: 8.08±0.16(Predicted)
• PSA: 93.35000
• Density: 1.27 g/cm³
• LogP: -0.59922
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 218.0862724
• Heavy Atom Count: 16
• Complexity: 279

Purity/Quality:

98%Min ^*data from raw suppliers

4-(2-Cyanoethylaminocarbonyl)phenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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