3-Bromoisonicotinic acid
- CAS No.
- 13959-02-9
- Chemical Name:
- 3-Bromoisonicotinic acid
- Synonyms
- IFLAB-BB F1957-0038;Dry Vitamin E Acetate;3-Bromoisonicotinicaci;-Bromoisonicotinic acid;3-BROMOISONICOTINIC ACID;(2-azanylphenyl)methanol;3-BroMo-4-carboxy-pyridine;3-Bromopyridine-4-carboxyL;3-Bromopyridine-4-carboxylic a;3-broMopyridin-4-carboxylic acid
- CBNumber:
- CB4312082
- Molecular Formula:
- C6H4BrNO2
- Molecular Weight:
- 202.01
- MDL Number:
- MFCD00040944
- MOL File:
- 13959-02-9.mol
- MSDS File:
- SDS
| Product description | Number | Pack Size | Price |
| 3-Bromopyridine-4-carboxylic acid 97% | 714658 | 1g | $76.05 |
| 3-BromoisonicotinicAcid | B677818 | 50mg | $60 |
| 3-Bromo-4-pyridinecarboxylic acid | FB56340 | 5G | $70 |
| 3-Bromopyridine-4-carboxylic acid | 045000 | 25g | $48 |
| 3-Bromoisonicotinicacid 98% | OR0167 | 25g | $60 |
| More product size | |||
| Melting point | 237-238 |
|---|---|
| Boiling point | 403.1±30.0 °C(Predicted) |
| Density | 1.813±0.06 g/cm3(Predicted) |
| Flash point | 197. |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| pka | 0.60±0.10(Predicted) |
| form | solid |
| color | Off-white |
| InChI | InChI=1S/C6H4BrNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10) |
| InChIKey | AVXWWBFBRTXBRM-UHFFFAOYSA-N |
| SMILES | C1=NC=CC(C(O)=O)=C1Br |
| CAS DataBase Reference | 13959-02-9(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| Hazard Codes | Xi,Xn | |||||||||
| Risk Statements | 36/37/38-22 | |||||||||
| Safety Statements | 26-36/37/39-22 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 2933399990 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
|||||||||
| NFPA 704 |
|
3-Bromoisonicotinic acid price More Price(39)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 714658 | 3-Bromopyridine-4-carboxylic acid 97% | 13959-02-9 | 1g | $76.05 | 2025-07-31 | Buy |
| TRC | B677818 | 3-BromoisonicotinicAcid | 13959-02-9 | 50mg | $60 | 2021-12-16 | Buy |
| Biosynth Carbosynth | FB56340 | 3-Bromo-4-pyridinecarboxylic acid | 13959-02-9 | 5G | $70 | 2021-12-16 | Buy |
| Oakwood | 045000 | 3-Bromopyridine-4-carboxylic acid | 13959-02-9 | 25g | $48 | 2021-12-16 | Buy |
| Apolloscientific | OR0167 | 3-Bromoisonicotinicacid 98% | 13959-02-9 | 25g | $60 | 2021-12-16 | Buy |
3-Bromoisonicotinic acid Chemical Properties,Uses,Production
Chemical Properties
Crystal structure of 3-bromoisonicotinic acid (C6H4BrNO2): triclinic, Pˉ1 (no. 2), a = 7.2512(6) , b = 7.3916(6) , c = 7.4920(7) , α = 65.065(4)°, β = 68.858(4)°, γ = 64.919(4)°, V = 321.60(5) 3 , Z = 2, Rgt(F) = 0.0369, wRref(F 2 ) = 0.1017, T = 150(2) K.
Uses
3-Bromoisonicotinic acid, as the most important intermediate in isonicotinic acid derivatives, is mainly used in the manufacture of anti-tuberculosis drugs, but also in the synthesis of amides, hydrazides, esters and other derivatives.
Synthesis
626-55-1
124-38-9
13959-02-9
The general procedure for the synthesis of 3-bromoisonicotinic acid from 3-bromopyridine and carbon dioxide was as follows: 3-bromopyridine (164 mg, 1.0 mmol) was added to a solution of lithium diisopropylammonium (LiNPri2) in anhydrous tetrahydrofuran (THF, 1.0 M, 15 mL, 1.5 mmol) under the protection of argon (Ar), and the reaction mixture was stirred at -78 °C for 30 minutes. Subsequently, crushed solid carbon dioxide (CO2) was added under Ar protection and the cooling device was removed. The reaction mixture was allowed to warm up naturally to 20 °C with continuous stirring. After addition of water (10 mL), the organic solvent was removed by evaporation. The resulting aqueous phase was washed three times with ether (Et2O). Next, the pH was adjusted to 3 by adding 9 M hydrochloric acid (HCl) to the aqueous phase, and the mixture was stirred for 1 h. The mixture was then extracted three times with ethyl acetate (EtOAc). The organic phases were combined, washed with saturated saline (brine), dried and the solvent was evaporated to give the target product 3-bromoisonicotinic acid (20 mg, 10% yield) as white needle-like crystals. Its physical properties were as follows: melting point 175-176 °C (decomposition); 1H NMR (δ, ppm): 7.71 (1H, d, J = 4.8 Hz, 6-H), 8.70 (1H, d, J = 4.9 Hz, 5-H), 8.91 (1H, s, 2-H), 12.56 (1H, br, OH); 13C NMR (CDCl3, δ, ppm): 117.26 ppm): 117.26 (4-C), 123.77 (6-C), 148.94 (5-C), 152.61 (2-C), 165.00 (C=O), 166.07 (3-C); MS m/z: 202/200 (M-H)-.
References
[1] Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 13, p. 3013 - 3032
[2] Patent: EP2274983, 2011, A1. Location in patent: Page/Page column 126
[3] Patent: US2011/39843, 2011, A1. Location in patent: Page/Page column 79
[4] Patent: WO2011/40629, 2011, A1. Location in patent: Page/Page column 210
[5] Patent: WO2011/49220, 2011, A1. Location in patent: Page/Page column 209
3-Bromoisonicotinic acid Preparation Products And Raw materials
Raw materials
1of2
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Hebei Chuanghai Biotechnology Co., Ltd | +8615350571055 | Sibel@chuanghaibio.com | China | 8753 | 58 |
| Henan Fengda Chemical Co., Ltd | +86-371-86557731 +86-13613820652 | info@fdachem.com | China | 20128 | 58 |
| Frapp's ChemicalNFTZ Co., Ltd. | +86 (576) 8169-6106 | sales@frappschem.com | China | 880 | 50 |
| Capot Chemical Co.,Ltd. | +86-（0）57185586718; +8613336195806 | sales@capot.com | China | 29735 | 60 |
| Hi-Tech Chemistry Corp | 0519-86626038 | yuhh@hitechem.com | CHINA | 810 | 58 |
| ATK CHEMICAL COMPANY LIMITED | +undefined-21-51877795 | ivan@atkchemical.com | China | 33024 | 60 |
| career henan chemical co | +86-0371-86658258 +8613203830695 | sales@coreychem.com | China | 29831 | 58 |
| Shenzhen Nexconn Pharmatechs Ltd | +86-755-89396905 +86-15013857715 | admin@nexconn.com | China | 10405 | 58 |
| HaBo Hong Kong Co., Limited. | +86-25-18512596065 | info@habotech.com | CHINA | 933 | 58 |
| Accela ChemBio Inc. | +1-858-6993322 | info@accelachem.com | United States | 21193 | 58 |
View Lastest Price from 3-Bromoisonicotinic acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-02-11 | 3-Bromoisonicotinic acid
13959-02-9
|
US $0.00 / KG | 1KG | 98%min | 30tons/month | WUHAN FORTUNA CHEMICAL CO., LTD | |
 |
2026-01-30 | 3-Bromoisonicotinic acid
13959-02-9
|
US $10.00 / KG | 1KG | 99% | 10 mt | Hebei Chuanghai Biotechnology Co., Ltd | |
 |
2025-12-01 | 3-Bromoisonicotinic acid
13959-02-9
|
US $0.00-0.00 / KG | 1KG | 98.0% | 10000KGS | Shaanxi Dideu New Materials Co. Ltd |
-
- 3-Bromoisonicotinic acid
13959-02-9
- US $0.00 / KG
- 98%min
- WUHAN FORTUNA CHEMICAL CO., LTD
-
- 3-Bromoisonicotinic acid
13959-02-9
- US $10.00 / KG
- 99%
- Hebei Chuanghai Biotechnology Co., Ltd
-
- 3-Bromoisonicotinic acid
13959-02-9
- US $0.00-0.00 / KG
- 98.0%
- Shaanxi Dideu New Materials Co. Ltd
