5-Bromonicotinamide

Base Information

• Chemical Name: 5-Bromonicotinamide
• CAS No.: 28733-43-9
• Molecular Formula: C6H5BrN2O
• Molecular Weight: 201.023
• Hs Code.: 29333990
• European Community (EC) Number: 626-875-4
• UNII: FCT9J0CUP7
• DSSTox Substance ID: DTXSID00182890
• Nikkaji Number: J431.803J
• Wikidata: Q27092981
• Metabolomics Workbench ID: 146480
• Mol file: 28733-43-9.mol

Synonyms:5-bromonicotinamide;28733-43-9;5-Bromo-3-pyridinecarboxamide;5-bromopyridine-3-carboxamide;3-Pyridinecarboxamide, 5-bromo-;Nicotinamide, 5-bromo-;C6H5BrN2O;5-Bromo-nicotinamide;FCT9J0CUP7;BRN 0115921;MFCD00173919;5-22-02-00182 (Beilstein Handbook Reference);UNII-FCT9J0CUP7;3-Bromo-5-carbamoylpyridine;BRT;SCHEMBL578591;5-bromo-3-pyridinylcarboxamide;C6-H5-Br-N2-O;5-bromo-pyridine-3-carboxamide;DTXSID00182890;HMS3604K17;BCP27010;STL503460;5-Bromo-3-pyridinecarboxamide, 97%;AKOS000114022;CS-W015578;DB01854;FS-2677;LS-96386;SY001775;AM20051040;B3536;BB 0244175;FT-0638801;EN300-1232895;AC-907/30003011;J-400699;Q27092981;Z33546660;F2124-0064

Chemical Property of 5-Bromonicotinamide

Chemical Property:

• Appearance/Colour: Off-white to light pink powder
• Vapor Pressure: 0.000435mmHg at 25°C
• Melting Point: 218-222 °C
• Refractive Index: 1.613
• Boiling Point: 315.5 °C at 760 mmHg
• PKA: 14.21±0.50(Predicted)
• Flash Point: 144.6 °C
• PSA: 55.98000
• Density: 1.71 g/cm³
• LogP: 1.64330
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 199.95853
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

99% ^*data from raw suppliers

5-Bromonicotinamide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 5-Bromonicotinamide

There total 7 articles about 5-Bromonicotinamide 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: 90.0%

5-bromopyridine-3-carbonitrile (35590-37-5) → 5-bromonicotinamide (28733-43-9)

Guidance literature:

With water; at 130 ℃; for 1h; Microwave irradiation;

DOI:10.1002/adsc.201600199

Reference yield:

5-bromo-3-pyridinecarboxylic acid (20826-04-4) → 5-bromonicotinamide (28733-43-9)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂ / 20 °C

2: NH₃(g) / CH₂Cl₂ / 1 h / 20 °C

With ammonia; In dichloromethane; 1: Condensation / 2: Substitution;

DOI:10.1021/jm0000719

Reference yield:

5-bromonicotinoyl chloride (39620-02-5) → 5-bromonicotinamide (28733-43-9)

Guidance literature:

With ammonia;

upstream raw materials:

ethyl 5-bromo-3-pyridinecarboxylate

5-bromo-3-pyridinecarboxylic acid

5-Bromo-pyridine-2,3-dicarboxylic acid

5-bromonicotinoyl chloride

Downstream raw materials:

3-amino-5-bromopyridine

5-bromopyridine-3-carbonitrile

5-phenylpyridine-3-carboxamide