5-Bromo-2-chloropyridine - CAS 53939-30-3
Catalog: |
BB028404 |
Product Name: |
5-Bromo-2-chloropyridine |
CAS: |
53939-30-3 |
Synonyms: |
Pyridine, 5-bromo-2-chloro-; 2-Chloro-5-bromopyridine; 3-Bromo-6-chloropyridine |
IUPAC Name: | 5-bromo-2-chloropyridine |
Description: | The simple LiCl-mediated insertion of magnesium into aryl chlorides and bromides at moderate temps. leads to functionalized organomagnesium reagents. |
Molecular Weight: | 192.44 |
Molecular Formula: | C5H3BrClN |
Canonical SMILES: | C1=CC(=NC=C1Br)Cl |
InChI: | InChI=1S/C5H3BrClN/c6-4-1-2-5(7)8-3-4/h1-3H |
InChI Key: | PEAOEIWYQVXZMB-UHFFFAOYSA-N |
Boiling Point: | 208.1±20.0°C at 760 mmHg |
Melting Point: | 71°C |
Purity: | ≥95% |
Density: | 1.736±0.06 g/cm3 |
Appearance: | Off-white Crystalline Powder or Crystals |
Storage: | Store at RT |
MDL: | MFCD01318951 |
LogP: | 2.49750 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113321641-A | Compound, electron transport material, organic electroluminescent device and display device | 20210508 |
CN-113292514-A | Piperazine derivative and organic photoelectric device comprising same | 20210407 |
CN-113024512-A | Aromatic heterocyclic compound used as electron transport material and application thereof | 20210330 |
CN-113149801-A | Deuterated polyhalogen aromatic compound, preparation method thereof and organic intermediate | 20210127 |
CN-112500337-A | Synthetic method of 3-bromo-6-chloropyridine formamide | 20200903 |
PMID | Publication Date | Title | Journal |
20933461 | 20101201 | Ab initio/DFT electronic structure calculations, spectroscopic studies and normal coordinate analysis of 2-chloro-5-bromopyridine | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
20426403 | 20100521 | Synthesis of polyhalogenated 4,4'-bipyridines via a simple dimerization procedure | The Journal of organic chemistry |
16283796 | 20051101 | Solid phase synthesis of pyridine-based derivatives from a 2-chloro-5-bromopyridine scaffold | Journal of combinatorial chemistry |
14627396 | 20031127 | Selective amination of polyhalopyridines catalyzed by a palladium-xantphos complex | Organic letters |
Complexity: | 78.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.91374 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.91374 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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