2-(4-Isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Base Information

• Chemical Name: 2-(4-Isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• CAS No.: 380430-64-8
• Molecular Formula: C13H16BNO3
• Molecular Weight: 245.08
• Hs Code.: 2931900090
• European Community (EC) Number: 685-570-4
• DSSTox Substance ID: DTXSID90378482
• Mol file: 380430-64-8.mol

Synonyms:380430-64-8;2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-isocyanatophenylboronic acid, pinacol ester;1,3,2-DIOXABOROLANE, 2-(4-ISOCYANATOPHENYL)-4,4,5,5-TETRAMETHYL-;(4-Isocyanatophenyl)boronic acid pinacol ester;SCHEMBL441289;4-ISOCYANATOBENZENEBORONIC ACID PINACOL ESTER;(4-ISOCYANATOPHENYL)BORONIC ACID, PINACOL ESTER;DTXSID90378482;RHKRIDVZGAXYQE-UHFFFAOYSA-N;MFCD03411942;AKOS025293622;AB14301;AC-25044;BS-32364;(4-Isocyanatophenyl)boronicacid,pinacolester;4-Isocyanatophenylboronic acid,pinacol ester;FT-0687790;(4-Isocyanatophenyl)boronic acid,pinacol ester;EN300-7370075;A823986;Z2044741118

Chemical Property of 2-(4-Isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Chemical Property:

• Vapor Pressure: 0.000153mmHg at 25°C
• Melting Point: 162-168°C
• Refractive Index: 1.508
• Boiling Point: 331.7 °C at 760 mmHg
• Flash Point: 154.4 °C
• PSA: 47.89000
• Density: 1.05 g/cm³
• LogP: 1.95310
• Sensitive.: Moisture Sensitive/Lachrymatory
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 245.1223235
• Heavy Atom Count: 18
• Complexity: 339

Purity/Quality:

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

4-Isocyanatophenylboronicacid,pinacolester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C; T
• Hazard Codes: C,T
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-28-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N=C=O
• Uses: 4-Isocyanatophenylboronic acid, pinacol ester