5-Borono-2-methylbenzoic acid

Base Information

• Chemical Name: 5-Borono-2-methylbenzoic acid
• CAS No.: 1256346-18-5
• Molecular Formula: C8H9BO4
• Molecular Weight: 179.96566
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID80681654
• Wikidata: Q82605771
• Mol file: 1256346-18-5.mol

Synonyms:5-Borono-2-methylbenzoic acid;1256346-18-5;3-CARBOXY-4-METHYLPHENYLBORONIC ACID;5-Borono-2-methylbenzoicacid;DTXSID80681654;MFCD13181619;AKOS006336742;AM90033;BS-19761;CS-0174382;FT-0730418;D71489;A890135

Chemical Property of 5-Borono-2-methylbenzoic acid

Chemical Property:

• Boiling Point: 421.8±55.0 °C(Predicted)
• PKA: 3.92±0.25(Predicted)
• PSA: 77.76000
• Density: 1.34±0.1 g/cm3(Predicted)
• LogP: -0.62700
• Storage Temp.: Room temperature.
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 180.0593889
• Heavy Atom Count: 13
• Complexity: 195

Purity/Quality:

95% ^*data from raw suppliers

3-Carboxy-4-methylphenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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