4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline

Base Information

• Chemical Name: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline
• CAS No.: 685103-98-4
• Molecular Formula: C15H18BNO2
• Molecular Weight: 255.124
• Hs Code.: 2934999090
• European Community (EC) Number: 624-689-8
• DSSTox Substance ID: DTXSID80375248
• Wikidata: Q72486403
• Mol file: 685103-98-4.mol

Synonyms:685103-98-4;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;4-Isoquinolineboronic acid pinacol ester;ISOQUINOLINE-4-BORONIC ACID, PINACOL ESTER;Isoquinoline-4-boronic acid pinacol ester;SCHEMBL190392;DTXSID80375248;LOMKRPABAXIQJL-UHFFFAOYSA-N;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-isoquinoline;MFCD05663891;AKOS016001353;AB22037;CS-W012579;DS-13536;A9117;AM20061439;FT-0644845;I0739;4-Isoquinolineboronic acid pinacol ester, 96%;EN300-212570;ISOQUINOLIN-4-YLBORONIC ACID PINACOL ESTER;J-513435;4-(tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;Z1336745142;2-(4-Isoquinolyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Chemical Property of 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline

Chemical Property:

• Vapor Pressure: 3.62E-06mmHg at 25°C
• Melting Point: 98-102 °C(lit.)
• Refractive Index: 1.558
• Boiling Point: 397.5 °C at 760 mmHg
• PKA: 5.30±0.10(Predicted)
• Flash Point: 194.2 °C
• PSA: 31.35000
• Density: 1.1 g/cm³
• LogP: 2.53400
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 255.1430590
• Heavy Atom Count: 19
• Complexity: 329

Purity/Quality:

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

Isoquinoline-4-boronicacid,pinacolester ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=CC3=CC=CC=C23