4-Chloro-3-nitrophenylboronic acid

Base Information

• Chemical Name: 4-Chloro-3-nitrophenylboronic acid
• CAS No.: 151169-67-4
• Molecular Formula: C6H5BClNO4
• Molecular Weight: 201.37
• Hs Code.: 2931900090
• European Community (EC) Number: 639-352-0
• DSSTox Substance ID: DTXSID30407462
• Wikidata: Q72455941
• Mol file: 151169-67-4.mol

Synonyms:4-Chloro-3-nitrophenylboronic acid;151169-67-4;(4-chloro-3-nitrophenyl)boronic acid;4-Chloro-3-nitrobenzeneboronic acid;3-Nitro-4-chlorophenylboronic acid;C6H5BClNO4;MFCD02258950;(4-chloro-3-nitro-phenyl)boronic Acid;Boronic acid, B-(4-chloro-3-nitrophenyl)-;B-(4-CHLORO-3-NITROPHENYL)-BORONIC ACID;Boronic acid, (4-chloro-3-nitrophenyl)-;SCHEMBL1236057;DTXSID30407462;LQCCRPUZTXKDGB-UHFFFAOYSA-N;STR09163;4-chloro-3-nitrophenyl boronic acid;4-Chloro-3-nitropphenylboronic acid;AKOS004113739;AB11705;AM81149;SY019954;A3322;C3212;CS-0007563;FT-0643468;EN300-190255;J-515028;Z1269213669;4-Chloro-3-nitrophenylboronic Acid (contains varying amounts of Anhydride)

Chemical Property of 4-Chloro-3-nitrophenylboronic acid

Chemical Property:

• Appearance/Colour: off-white solid
• Vapor Pressure: 1.25E-06mmHg at 25°C
• Melting Point: 270-278 °C
• Refractive Index: 1.592
• Boiling Point: 385.4 °C at 760 mmHg
• PKA: 6.74±0.10(Predicted)
• Flash Point: 186.9 °C
• PSA: 86.28000
• Density: 1.54 g/cm³
• LogP: 0.45120
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 201.0000155
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-3-nitrophenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=C(C=C1)Cl)[N+](=O)[O-])(O)O
• Uses: suzuki reaction