3-Carboxy-4-fluorophenylboronic acid

Base Information

• Chemical Name: 3-Carboxy-4-fluorophenylboronic acid
• CAS No.: 872460-12-3
• Molecular Formula: C7H6BFO4
• Molecular Weight: 183.932
• Hs Code.: 29310099
• European Community (EC) Number: 677-209-4
• DSSTox Substance ID: DTXSID20376835
• Wikidata: Q72515540
• Mol file: 872460-12-3.mol

Synonyms:3-Carboxy-4-fluorophenylboronic acid;872460-12-3;5-borono-2-fluorobenzoic acid;3-Carboxy-4-fluorobenzeneboronic acid;4-fluoro-3-carboxyphenylboronic acid;3-Carboxy-4-fluorophenylboronicacid;MFCD03095129;5-(dihydroxyboranyl)-2-fluorobenzoic acid;Benzoic acid, 5-borono-2-fluoro-;5-borono-2-fluoro-benzoic Acid;SCHEMBL733036;DTXSID20376835;DGORTXQWDDXSIQ-UHFFFAOYSA-N;AKOS000285059;AB13504;CS-W004129;DS-1793;AC-31007;AM804457;SY018036;C2945;FT-0645002;5-(dihydroxyboranyl)-2-fluoranyl-benzoic acid;EN300-127589;3-Carboxy-4-fluorophenylboronic acid, AldrichCPR;A842050;J-512159;Z1201622087

Chemical Property of 3-Carboxy-4-fluorophenylboronic acid

Chemical Property:

• Melting Point: 217-219 °C
• Boiling Point: 412.6 °C at 760 mmHg
• PKA: 3.28±0.10(Predicted)
• Flash Point: 203.3 °C
• PSA: 77.76000
• Density: 1.49 g/cm³
• LogP: -0.79630
• Storage Temp.: Keep Cold
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 184.0343170
• Heavy Atom Count: 13
• Complexity: 199

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=C(C=C1)F)C(=O)O)(O)O
• Uses: suzuki reaction