5-Bromo-2-pyridinecarbonitrile
- CAS No.
- 97483-77-7
- Chemical Name:
- 5-Bromo-2-pyridinecarbonitrile
- Synonyms
- 5-BROMOPICOLINONITRILE;5-BROMO-2-CYANOPYRIDINE;2-CYANO-5-BROMOPYRIDINE;2-PYRIDI;Torezolid-12;IFLAB-BB F1926-0030;Tedizolid Impurity 40;Tedizolid Impurity 65;Tedizolid impurity587;2-CYANO-5-BROMOPYRIDIN
- CBNumber:
- CB2402716
- Molecular Formula:
- C6H3BrN2
- Molecular Weight:
- 183.01
- MOL File:
- 97483-77-7.mol
- MSDS File:
- SDS
- Modify Date:
- 2023/11/3 10:33:44
| Melting point | 128-132 °C (lit.) |
|---|---|
| Boiling point | 100-110 °C/3 mmHg (lit.) |
| Density | 1.72±0.1 g/cm3(Predicted) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Soluble in dichloromethane, ether, ethyl acetate and methanol |
| form | powder to crystal |
| pka | -2.68±0.10(Predicted) |
| color | White to Light yellow to Light orange |
| BRN | 5498624 |
| InChI | InChI=1S/C6H3BrN2/c7-5-1-2-6(3-8)9-4-5/h1-2,4H |
| InChIKey | DMSHUVBQFSNBBL-UHFFFAOYSA-N |
| SMILES | C1(C#N)=NC=C(Br)C=C1 |
| CAS DataBase Reference | 97483-77-7(CAS DataBase Reference) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS05,GHS06 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H301-H315-H318-H335 | |||||||||
| Precautionary statements | P280-P301+P310+P330-P302+P352-P305+P351+P338+P310 | |||||||||
| Hazard Codes | Xn,T,Xi | |||||||||
| Risk Statements | 22-37/38-41-36/37/38-20/21/22-43 | |||||||||
| Safety Statements | 26-36/37/39-36/37-9 | |||||||||
| RIDADR | UN 2811 6.1/PG 3 | |||||||||
| WGK Germany | 3 | |||||||||
| Hazard Note | Harmful | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29339900 | |||||||||
| NFPA 704 |
|
5-Bromo-2-pyridinecarbonitrile price More Price(6)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | 641359 | 5-Bromo-2-pyridinecarbonitrile 97% | 97483-77-7 | 1G | ₹4708.88 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 641359 | 5-Bromo-2-pyridinecarbonitrile 97% | 97483-77-7 | 5G | ₹15436.45 | 2022-06-14 | Buy |
| TCI Chemicals (India) | B3610 | 5-Bromo-2-cyanopyridine min. 98.0 % | 97483-77-7 | 5G | ₹7000 | 2022-05-26 | Buy |
| TCI Chemicals (India) | B3610 | 5-Bromo-2-cyanopyridine min. 98.0 % | 97483-77-7 | 25G | ₹12600 | 2022-05-26 | Buy |
| ALFA India | ALF-L19621-06 | 5-Bromo-2-cyanopyridine, 95% | 97483-77-7 | 5g | ₹4966 | 2022-05-26 | Buy |
5-Bromo-2-pyridinecarbonitrile Chemical Properties,Uses,Production
Chemical Properties
Light yellow Cryst
Uses
5-Bromo-2-pyridinecarbonitrile can be used in the synthesis of aza-terphenyl diamidine analogs, which exhibits potent antiprotozoal activity. It can also be used in the synthesis of pyridine-diketopyrrolopyrrole(PyDPP), a building block for preparing low band-gap copolymers for use as electron donor in polymer solar cells.
Chemical Properties
The intramolecular hyperconjugative interactions of the p to p* transitions from (C1—C2, C3—C4. C5—N6) p bonds in pyridine ring lead to strong delocalization. In particular, there is a little deviation in the energetic contributions from p (C1—C2 and C3—C4) bonds to p* [(C3—C4, C5—N6) and (C1—C2, C5—N6)] antibond transitions of (22.96, 17.04 kJ mol1 ) and (18.04, 24.81 kJ mol1 ), respectively, compared to other contributions in the ring. As well as the hyperconjugative interactions of the s / s* transitions occur from various bonds in our molecule; particularly, σ (C1—C11) and (C11—N12) having the bigger energetic contribution of their antibonding σ* (C11—N12) and (C1—C11) interactions at 8.28 and 8.68 kJ mol1 , respectively[1]. The most interaction energy, related to the resonance in the molecule, electron donating from the LP(2) N12 to the antibonding σ* (C1—C11) leads to moderate stabilization energy of 11.95 kJ mol1 is shown below.
References
[1] Kandasamy, M. , and G. Velraj . "Ab initio/DFT electronic structure calculations, spectroscopic studies of 5-bromo-2-pyridinecarbonitrile – A comparative study." Solid State Sciences 14.8(2012):1071-1079.
5-Bromo-2-pyridinecarbonitrile Preparation Products And Raw materials
Raw materials
Preparation Products
1of2
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| Supplier | Advantage |
|---|---|
| BTC pharm India | 58 |
| GLR Innovations | 58 |
| SRI NICHOLAS FINECHEM LABORATORIES | 58 |
| ANJI BIOSCIENCES | 58 |
| ALTRAKEM PHARMA LIFE SCIENCES PRIVATE LIMITED | 58 |
| Manik Laboratories | 58 |
| SURVIVAL TECHNOLOGIES LIMITED | 58 |
| SCINTELLI | 58 |
| SVS INTERCHEM | 58 |
| ORGANO FINE CHEMICALS | 58 |