3-(Pyrrolidine-1-carbonyl)phenylboronic acid

Base Information

• Chemical Name: 3-(Pyrrolidine-1-carbonyl)phenylboronic acid
• CAS No.: 723281-53-6
• Molecular Formula: C11H14BNO3
• Molecular Weight: 219.048
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70463385
• Wikidata: Q72505313
• Mol file: 723281-53-6.mol

Synonyms:723281-53-6;3-(Pyrrolidine-1-carbonyl)phenylboronic acid;(3-(Pyrrolidine-1-carbonyl)phenyl)boronic acid;3-Pyrrolidinylcarbonylphenylboronic acid;[3-(pyrrolidine-1-carbonyl)phenyl]boronic Acid;3-(Pyrrolidin-1-ylcarbonyl)benzeneboronic acid;SCHEMBL177485;DTXSID70463385;SXTMJRKRWYTPLI-UHFFFAOYSA-N;MFCD04115685;AKOS015856041;AB20395;(3-pyrrolidinylcarbonylphenyl)boronic acid;3-pyrrolidinylcarbonyl phenyl boronic acid;BS-24678;AM20041080;CS-0175315;FT-0644857;3-(pyrrolidin-1-ylcarbonyl)phenylboronic acid;A26764;I12379;J-510971;3-(1-PYRROLIDINYLCARBONYL)BENZENEBORONIC ACID;3-(pyrrolidine-1-carbonyl)phenylboronic acid, AldrichCPR;(3-boronophenyl)(pyrrolidin-1-yl)methanone

Chemical Property of 3-(Pyrrolidine-1-carbonyl)phenylboronic acid

Chemical Property:

• Vapor Pressure: 2.54E-09mmHg at 25°C
• Melting Point: 113-116 °C
• Refractive Index: 1.586
• Boiling Point: 461.7 °C at 760 mmHg
• PKA: 7.95±0.10(Predicted)
• Flash Point: 233 °C
• PSA: 60.77000
• Density: 1.26 g/cm³
• LogP: -0.45970
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 219.1066735
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(Pyrrolidine-1-carbonyl)phenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-41
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC=C1)C(=O)N2CCCC2)(O)O