3-(Isopropoxycarbonyl)phenylboronic acid

Base Information

• Chemical Name: 3-(Isopropoxycarbonyl)phenylboronic acid
• CAS No.: 342002-80-6
• Molecular Formula: C10H13BO4
• Molecular Weight: 208.022
• Hs Code.: 29310099
• DSSTox Substance ID: DTXSID80370253
• Wikidata: Q72485589
• Mol file: 342002-80-6.mol

Synonyms:342002-80-6;3-(isopropoxycarbonyl)phenylboronic acid;3-Isopropoxycarbonylphenylboronic acid;3-(isopropoxycarbonyl)benzeneboronic acid;(3-(Isopropoxycarbonyl)phenyl)boronic acid;(3-propan-2-yloxycarbonylphenyl)boronic Acid;ISOPROPYL 3-BORONOBENZOATE;3-(isopropylcarbonyl)phenylboronic acid;m-(isopropoxycarbonyl)phenylboronic acid;Propan-2-Yl 3-(Dihydroxyboranyl)Benzoate;(3-(Isopropoxycarbonyl)phenyl)boronicacid;SCHEMBL177280;DTXSID80370253;HXVODQWMURGQMP-UHFFFAOYSA-N;MFCD02093047;AKOS015838554;AB10724;AM86879;PS-9551;3-(iso-Propoxycarbonyl)phenylboronic acid;CS-0174250;FT-0615111;I1000;H10993;3-ISOPROPOXYCARBONYLPHENYLBORONIC ACID 98%;3-(isopropoxycarbonyl)phenylboronic acid, AldrichCPR;3-(ISOPROPOXYCARBONYL)BENZENEBORONIC ACID 98%;3-(Isopropoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride)

Chemical Property of 3-(Isopropoxycarbonyl)phenylboronic acid

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 6.71E-07mmHg at 25°C
• Melting Point: 153-154 °C
• Refractive Index: 1.408-1.41
• Boiling Point: 370.7 °C at 760 mmHg
• PKA: 7.81±0.10(Predicted)
• Flash Point: 178 °C
• PSA: 66.76000
• Density: 1.17 g/cm³
• LogP: -0.06840
• Storage Temp.: 0-6°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 208.0906891
• Heavy Atom Count: 15
• Complexity: 218

Purity/Quality:

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

3-(Isopropoxycarbonyl)phenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-10
• Safety Statements: 37/39-26-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC=C1)C(=O)OC(C)C)(O)O
• Uses: suzuki reaction