5-Bromonicotinic acid
- CAS No.
- 20826-04-4
- Chemical Name:
- 5-Bromonicotinic acid
- Synonyms
- 5-BROMOPYRIDINE-3-CARBOXYLIC ACID;Nicergoline impurity D CRS;5-BROMO-3-PYRIDINECARBOXYLIC ACID;DF97;AURORA KA-3027;CAS:20826-04-4;AKOS BBS-00007710;5 - broMine niacin;TIMTEC-BB SBB003524;RARECHEM AL BO 0841
- CBNumber:
- CB3375701
- Molecular Formula:
- C6H4BrNO2
- Molecular Weight:
- 202.01
- MOL File:
- 20826-04-4.mol
- MSDS File:
- SDS
- Modify Date:
- 2025/4/9 17:11:09
| Melting point | 178-180 °C(lit.) |
|---|---|
| Boiling point | 259.67°C (rough estimate) |
| Density | 1.7477 (rough estimate) |
| vapor pressure | 0.01Pa at 25℃ |
| refractive index | 1.6120 (estimate) |
| storage temp. | 2-8°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 3.08±0.10(Predicted) |
| form | Powder |
| color | White to yellow-gray or light brown |
| BRN | 115854 |
| InChI | InChI=1S/C6H4BrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10) |
| InChIKey | FQIUCPGDKPXSLL-UHFFFAOYSA-N |
| SMILES | C1=NC=C(Br)C=C1C(O)=O |
| LogP | 1.17-1.29 at 23.5℃ and pH6.4 |
| CAS DataBase Reference | 20826-04-4(CAS DataBase Reference) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P305+P351+P338-P261-P280a-P304+P340-P405-P501a | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36-24/25 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | QT0868000 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 29333999 | |||||||||
| NFPA 704 |
|
5-Bromonicotinic acid price More Price(3)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | 228435 | 5-Bromopyridine-3-carboxylic acid 98% | 20826-04-4 | 10G | ₹2619.65 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 228435 | 5-Bromopyridine-3-carboxylic acid 98% | 20826-04-4 | 50G | ₹8270.3 | 2022-06-14 | Buy |
| TCI Chemicals (India) | B1818 | 5-Bromonicotinic Acid min. 99.0 % | 20826-04-4 | 25G | ₹4200 | 2022-05-26 | Buy |
5-Bromonicotinic acid Chemical Properties,Uses,Production
Chemical Properties
Light yellow Cryst
Uses
5-Bromopyridine-3-carboxylic acid (5-bromonicotinic acid) was used in the synthesis of 3-guanidinomethyl-5-iodopyridine.
Reactions
5-Bromonicotinic acid could used as starting material to synthesize 3-guanidinomethyl-5-iodopyridine. It is also used to prepare four novel multifunctional coordination compounds with different lanthanide(III) ions (Dy, Tb, Yb, and Nd). These materials possess different structures and dimensionalities and show interesting magnetic and luminescence properties, as well as a complete absence of cytotoxicity both in cancer and non-cancer Caco-2 cells[1-2].
Purification Methods
The acid is recrystallised from H2O and then from EtOH using charcoal. The amide has m 219-219.5o (from aqueous EtOH), and the methyl ester, prepared by addition of ethereal diazomethane, can be purified by sublimation in a vacuum and has m 98-99o. The acid chloride also can be sublimed in vacuo and has m 74-75o and gives the methyl ester in MeOH. [Graf J Prakt Chem 138 244 1933, Bachman & Micucci J Am Chem Soc 70 2381 1948, Garcia et al. J Am Chem Soc 82 4430 1960, Misic-Vokovic et al. J Chem Soc 34 1978, Beilstein 22/2 V 181.]
References
[1] Vaidyanathan G, et al. Iodopyridine-for-iodobenzene substitution for use with low molecular weight radiopharmaceuticals: application to m-iodobenzylguanidine. Bioconjugate Chemistry, 1998; 9: 758–764.
[2] Ruiz C, et al. Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties. CrystEngComm, 2019; 21: 3881-3890.
5-Bromonicotinic acid Preparation Products And Raw materials
Raw materials
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| BTC pharm India | +918790379245 | AndhraPradesh, India | 1262 | 58 | Inquiry |
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| Supplier | Advantage |
|---|---|
| BTC pharm India | 58 |
| GLR Innovations | 58 |
| Terma Medicare India Pvt.,Ltd | 58 |
| RPN ORGANICS PVT LTD | 58 |
| GK Chemicals | 58 |
| JSK Chemicals | 58 |
| ANJI BIOSCIENCES | 58 |
| ALTRAKEM PHARMA LIFE SCIENCES PRIVATE LIMITED | 58 |
| VASISTA LIFE SCIENCES PRIVATE LIMITED | 58 |
| SVH BIOSCIENCES | 58 |
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