5,6-Dibromonicotinic acid

Base Information

• Chemical Name: 5,6-Dibromonicotinic acid
• CAS No.: 29241-64-3
• Molecular Formula: C₆H₃Br₂NO₂
• Molecular Weight: 280.903
• Hs Code.: 2933399090
• European Community (EC) Number: 889-119-4
• DSSTox Substance ID: DTXSID00358518
• Wikidata: Q72464664
• Mol file: 29241-64-3.mol

Synonyms:5,6-dibromonicotinic acid;29241-64-3;5,6-dibromopyridine-3-carboxylic acid;5,6-DibromonicotinicAcid;3-Pyridinecarboxylic acid, 5,6-dibromo-;MFCD01927099;5,6-DIBROMO-NICOTINICACID;2,3-DIBROMO-5-PYRIDINECARBOXYLIC ACID;5,6-DIBROMO-3-PYRIDINECARBOXYLIC ACID;AI-942/13331024;SCHEMBL487368;DTXSID00358518;CL0207;AKOS005255574;AC-23218;AM808256;DS-10984;SY031454;CS-0041188;FT-0647048;EN300-104654;W-200285;Z1269238021

Chemical Property of 5,6-Dibromonicotinic acid

Chemical Property:

• Vapor Pressure: 1.96E-06mmHg at 25°C
• Refractive Index: 1.652
• Boiling Point: 379.5 °C at 760 mmHg
• PKA: 2.85±0.10(Predicted)
• Flash Point: 183.3 °C
• PSA: 50.19000
• Density: 2.202 g/cm³
• LogP: 2.30480
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 280.85100
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

98%,99%, ^*data from raw suppliers

5,6-DibromonicotinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=C1Br)Br)C(=O)O

Technology Process of 5,6-Dibromonicotinic acid

There total 1 articles about 5,6-Dibromonicotinic 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:

→ 5,6-Dibromnicotinsaeure (29241-64-3)

Guidance literature:

entspr. Picolin, Oxidation;

DOI:10.1021/je60047a005

Reference yield: 89.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 5,6-Dibromnicotinsaeure (29241-64-3) → methyl 5,6-dibromonicotinate (78686-81-4)

Guidance literature:

In diethyl ether; Ambient temperature;

DOI:10.1021/je00025a033

Reference yield:

5,6-Dibromnicotinsaeure (29241-64-3) → 5,6-dibromo-3-pyridinecarboxylic acid chloride (1620099-10-6) + 3-bromo-2-chloro-5-pyridinecarbonyl chloride (78686-84-7)

Guidance literature:

With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 0 - 20 ℃; for 5h; Inert atmosphere;

DOI:10.1021/jm5001979

Downstream raw materials:

methyl 5,6-dibromonicotinate

5,6-dibromo-3-pyridinecarboxylic acid chloride

3-bromo-2-chloro-5-pyridinecarbonyl chloride