4-Bromo-3-nitrophenylboronic acid

Base Information

• Chemical Name: 4-Bromo-3-nitrophenylboronic acid
• CAS No.: 74386-13-3
• Molecular Formula: C6H5BBrNO4
• Molecular Weight: 245.825
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID80378774
• Wikidata: Q82168337
• Mol file: 74386-13-3.mol

Synonyms:4-BROMO-3-NITROPHENYLBORONIC ACID;74386-13-3;(4-bromo-3-nitrophenyl)boronic acid;4-BROMO-3-NITROBENZENEBORONIC ACID;4-Bromo-3-nitrophenylboronicacid;Boronic acid, (4-bromo-3-nitrophenyl)-;(4-bromo-3-nitro-phenyl)boronic Acid;SCHEMBL5951670;DTXSID80378774;ZCA38613;MFCD01074649;AKOS004116142;AB08094;PS-9534;FT-0617831;FT-0657580;N12316;A838108;J-514753

Chemical Property of 4-Bromo-3-nitrophenylboronic acid

Chemical Property:

• Vapor Pressure: 7.34E-06mmHg at 25°C
• Melting Point: 213-216 °C
• Refractive Index: 1.629
• Boiling Point: 361.6 °C at 760 mmHg
• PKA: 6.67±0.10(Predicted)
• Flash Point: 172.5 °C
• PSA: 86.28000
• Density: 1.85 g/cm³
• LogP: 0.56030
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 244.94950
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-3-nitrophenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=C(C=C1)Br)[N+](=O)[O-])(O)O
• Uses: suzuki reaction 4-Bromo-3-nitrophenylboronic Acid inhibits porcine pancreatic lipase and serum cholinesterase activity in Horses.

Technology Process of 4-Bromo-3-nitrophenylboronic acid

There total 6 articles about 4-Bromo-3-nitrophenylboronic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 60.0%

2-bromo-5-fluoronitrobenzene (446-09-3) + bis(pinacol)diborane (73183-34-3) → 4-bromo-3-nitrophenylboronic acid (74386-13-3)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium acetate; In 1,4-dioxane; for 3h; Reflux;

Reference yield:

C8H9BBrNO4 → 4-bromo-3-nitrophenylboronic acid (74386-13-3)

Guidance literature:

With water; In tetrahydrofuran; water; at -20 ℃;

DOI:10.1039/c3ce26494g

Reference yield:

4-Bromophenylboronic acid (5467-74-3) + nitric acid (7697-37-2,78989-43-2) → 4-bromo-3-nitrophenylboronic acid (74386-13-3)

Guidance literature:

In nitric acid; with fuming HNO3;;

DOI:10.1021/ja01350a045

upstream raw materials:

4-Bromophenylboronic acid

(4-bromophenyl)magnesium bromide

nitric acid

1,4-dibromo-2-nitrobenzene