5-Bromo-2-pyridinecarbonitrile
- Product Name
- 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
- Formula Weight
- 183.01
- MOL File
- 97483-77-7.mol
5-Bromo-2-pyridinecarbonitrile Property
- 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
- pka
- -2.68±0.10(Predicted)
- form
- powder to crystal
- 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
- 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
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H301Toxic if swalloed
H315Causes skin irritation
H318Causes serious eye damage
H335May cause respiratory irritation
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
N-Bromosuccinimide Price
- Product number
- 641359
- Product name
- 5-Bromo-2-pyridinecarbonitrile
- Purity
- 97%
- Packaging
- 5g
- Price
- $26.16
- Updated
- 2024/03/01
- Product number
- 641359
- Product name
- 5-Bromo-2-pyridinecarbonitrile
- Purity
- 97%
- Packaging
- 1g
- Price
- $20
- Updated
- 2023/06/20
- Product number
- B3610
- Product name
- 5-Bromo-2-cyanopyridine
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $42
- Updated
- 2024/03/01
- Product number
- B3610
- Product name
- 5-Bromo-2-cyanopyridine
- Purity
- >98.0%(GC)
- Packaging
- 25g
- Price
- $132
- Updated
- 2024/03/01
- Product number
- L19621
- Product name
- 5-Bromo-2-cyanopyridine, 95%
- Packaging
- 5g
- Price
- $156
- Updated
- 2024/03/01
5-Bromo-2-pyridinecarbonitrile Chemical Properties,Usage,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
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View Lastest Price from 5-Bromo-2-pyridinecarbonitrile manufacturers
- Product
- 5-Bromo-2-pyridinecarbonitrile 97483-77-7
- Price
- US $0.00-0.00/drums
- Min. Order
- 1drums
- Purity
- 99%min.
- Supply Ability
- 10tons
- Release date
- 2023-10-22
- Product
- 5-Bromo-2-pyridinecarbonitrile 97483-77-7
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 50000KG/month
- Release date
- 2023-06-20
- Product
- 5-Bromo-2-pyridinecarbonitrile 97483-77-7
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 10 mt
- Release date
- 2021-02-24