5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole

Base Information

• Chemical Name: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole
• CAS No.: 936902-12-4
• Molecular Formula: C13H16BNO3
• Molecular Weight: 245.086
• Hs Code.: 2934999090
• European Community (EC) Number: 689-646-8
• DSSTox Substance ID: DTXSID40681953
• Wikidata: Q82606145
• Mol file: 936902-12-4.mol

Synonyms:936902-12-4;5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole;BENZOOXAZOLE-5-BORONIC ACID PINACOL ESTER;5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole;Benzoxazole-5-boronic acid pinacol ester;MFCD13181968;SCHEMBL4562207;5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole;DTXSID40681953;CHLWHHUKKHNQTH-UHFFFAOYSA-N;BCP18917;AKOS015960256;AB66696;CS-W004928;DS-17507;SY059476;Benzo[d]oxazole-5-boronic acid pinacol ester;C77226;EN300-112334;Benzooxazole-5-boronic acid pinacol ester, 97%;A859680;Z1438239997;5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoxazole

Chemical Property of 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole

Chemical Property:

• Melting Point: 88-93°C
• Boiling Point: 350.1±15.0 °C(Predicted)
• PKA: 0.17±0.10(Predicted)
• PSA: 44.49000
• Density: 1.14±0.1 g/cm3(Predicted)
• LogP: 2.12700
• Storage Temp.: Refrigerated.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 245.1223235
• Heavy Atom Count: 18
• Complexity: 318

Purity/Quality:

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

Benzooxazole-5-boronic acid pinacol ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC=N3