5-Bromo-2-pyridinecarbonitrile
5-Bromo-2-pyridinecarbonitrile Basic information
- Product Name:
- 5-Bromo-2-pyridinecarbonitrile
- Synonyms:
-
- Torezolid-12
- 5-Bromopicolinonitrile, 5-Bromo-2-cyanopyridine
- 5-Bromopyridine-2-carbonitrile 97%
- 5-BROMO-2-CYANOPYRIDINE99.0%
- 5-BroMo-2-pyridinecarbonitrile 97%
- 5 - broMine - 2 - cyanopyridine
- 2-PYRIDI
- Tedizolid Impurity 40
- CAS:
- 97483-77-7
- MF:
- C6H3BrN2
- MW:
- 183.01
- EINECS:
- 628-634-9
- Product Categories:
-
- Heterocyclic Building Blocks
- Cyano
- Pyridines, Pyrimidines, Purines and Pteredines
- Pyridine Derivertives
- Organohalides
- Heterocyclic Compounds
- blocks
- Bromides
- Carboxes
- Pyridines
- Pyridine
- Boron, Nitrile, Thio,& TM-Cpds
- Heterocycles
- Pyridines derivates
- Pyridine Series
- Bases & Related Reagents
- Nucleotides
- C6Heterocyclic Building Blocks
- Halogenated Heterocycles
- bc0001
- Mol File:
- 97483-77-7.mol
5-Bromo-2-pyridinecarbonitrile Chemical Properties
- 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 Information
- 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
MSDS
- Language:English Provider:SigmaAldrich
- Language:English Provider:ALFA
5-Bromo-2-pyridinecarbonitrile Usage And Synthesis
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.
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5-Bromo-2-pyridinecarbonitrile(97483-77-7)Related Product Information
- ETHYL 2-CYANOACRYLATE
- 3-Bromoanisole
- 4-Cyanopyridine
- 1-Hexadecylpyridinium bromide
- 3-Cyanopyridine
- 2-Hydroxypyridine
- 2-Cyanopyridine
- 2,6-Lutidine
- Methylene dithiocyanate
- Sodium cyanoborohydride
- 3-BROMO-2-PYRIDINECARBONITRILE
- 5-Bromo-2-nitropyridine
- (5R)-3-(4-BROMO-3-FLUOROPHENYL)-5-HYDROXYMETHYLOXAZOLIDIN-2-ONE
- 5-BROMO-4-METHYL-PYRIDINE-2-CARBONITRILE
- Torezolid
- bis(((R)-3-(3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)-2-oxooxazolidin-5-yl)methyl) hydrogen phosphate
- Tedizolid Impurity 36
- (S)-(+)-Glycidyl butyrate