2-Carboxythiophene-5-boronic acid

Base Information

• Chemical Name: 2-Carboxythiophene-5-boronic acid
• CAS No.: 465515-31-5
• Molecular Formula: C5H5 B O4 S
• Molecular Weight: 171.97
• Hs Code.: 2934999090
• European Community (EC) Number: 800-291-1
• UNII: 44WHT45A52
• DSSTox Substance ID: DTXSID90381557
• Wikidata: Q72515744
• ChEMBL ID: CHEMBL573906
• Mol file: 465515-31-5.mol

Synonyms:465515-31-5;2-Carboxythiophene-5-boronic acid;5-boronothiophene-2-carboxylic acid;5-Carboxythiophene-2-boronic acid;5-(Dihydroxyboryl)-2-thiophenecarboxylic acid;5-(dihydroxyboryl)thiophene-2-carboxylic acid;C5H5BO4S;5-(dihydroxyboranyl)thiophene-2-carboxylic acid;2-THIOPHENECARBOXYLIC ACID, 5-BORONO-;5-borono-2-thiophenecarboxylic acid;MFCD02323211;CHEMBL573906;44WHT45A52;2-Carboxythiophene-5-boronicacid;5-Carboxythiophene-2-boronicacid;D0JV5J;AF-399/25053010;SCHEMBL363172;UNII-44WHT45A52;AMY1115;DTXSID90381557;OQGIKNPOYTVNNF-UHFFFAOYSA-N;2-Carboxy-5-thiopheneboronic acid;BDBM50300665;AKOS000320202;AB11840;CS-W008899;GS-6580;PD182502;SY025280;FT-0619707;5(dihydroxylboryl)-2-thiophene carboxylic acid;5-(dihydroxyboryl)-2-thiophene-carboxylic acid;5-(dihydroxylboryl)-2-thiophene carboxylic acid;A827078;J-508577;5-(Dihydroxyboryl)-2-thiophenecarboxylic acid, AldrichCPR

Chemical Property of 2-Carboxythiophene-5-boronic acid

Chemical Property:

• Melting Point: 135-136 ºC
• Boiling Point: 467.6±55.0 °C(Predicted)
• PKA: 3.35±0.10(Predicted)
• PSA: 106.00000
• Density: 1.59±0.1 g/cm3(Predicted)
• LogP: -0.87390
• Storage Temp.: Keep Cold
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 172.0001600
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

5-Carboxythiophene-2-boronicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-36/38
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

Useful:

• Canonical SMILES: B(C1=CC=C(S1)C(=O)O)(O)O