4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline

Base Information

• Chemical Name: 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline
• CAS No.: 844891-01-6
• Molecular Formula: C14H16BNO2
• Molecular Weight: 241.09
• Hs Code.: 29349990
• DSSTox Substance ID: DTXSID80383560
• Wikidata: Q72469806
• Mol file: 844891-01-6.mol

Synonyms:844891-01-6;4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline;ISOQUINOLINE-4-BORONIC ACID 2,2-DIMETHYLPROPANEDIOL-1,3 CYCLIC ESTER;Isoquinoline-4-boronic acid, neopentyl glycol ester;Isoquinoline-4-boronic acid, 2,2-dimethylpropane-1,3-diol cyclic ester;C14H16BNO2;DTXSID80383560;MFCD06659058;AKOS004119286;AB25915;AT15530;AS-69215;CS-0175035;FT-0687984;A840818;J-521588

Chemical Property of 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline

Chemical Property:

• Vapor Pressure: 1.57E-06mmHg at 25°C
• Melting Point: 123 °C
• Refractive Index: 1.566
• Boiling Point: 409.2 °C at 760 mmHg
• Flash Point: 201.3 °C
• PSA: 31.35000
• Density: 1.12 g/cm³
• LogP: 2.00300
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 241.1274089
• Heavy Atom Count: 18
• Complexity: 288

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OCC(CO1)(C)C)C2=CN=CC3=CC=CC=C23