4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid

Base Information

• Chemical Name: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid
• CAS No.: 1010836-19-7
• Molecular Formula: C11H15BO4S
• Molecular Weight: 254.115
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60585984
• Wikidata: Q82477998
• Mol file: 1010836-19-7.mol

Synonyms:1010836-19-7;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid;2-CARBOXYTHIOPHENE-4-BORONIC ACID PINACOL ESTER;2-carboxythiophene-4-boronic acid, pinacol ester;5-Carboxythiophene-3-boronic acid pinacol ester;SCHEMBL1130443;DTXSID60585984;MFCD08064045;AKOS015950007;AB43519;AT16138;PS-13016;CS-0168553;J-000320;2-Thiophenecarboxylic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylicacid

Chemical Property of 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid

Chemical Property:

• Boiling Point: 403.4±30.0 °C(Predicted)
• PKA: 3.30±0.10(Predicted)
• PSA: 84.00000
• Density: 1.23±0.1 g/cm3(Predicted)
• LogP: 1.74550
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 254.0784103
• Heavy Atom Count: 17
• Complexity: 315

Purity/Quality:

97% ^*data from raw suppliers

2-Carboxythiophene-4-boronicAcidPinacolEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CSC(=C2)C(=O)O
• Uses: 2-Carboxythiophene-4-boronic acid, pinacol ester is a reagent used in the preparation of phenylaminodiheteroarylpyrimidine derivatives and analogs for use as antibacterial agents.