5-Bromo-2-chloropyridine - CAS 53939-30-3

Name: 5-Bromo-2-chloropyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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

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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