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2-bromo-4,5-dichloro-pyridine - 97%, high purity , CAS No.1033203-42-7
Basic Description
Synonyms
A921408 | AKOS015966470 | C71139 | AMY17438 | DTXSID601309447 | SY317139 | AB63111 | SCHEMBL23674588 | 1033203-42-7 | DS-11709 | MFCD11100656 | 2-bromo-4,5-dichloropyridine | 2-BroMo-4,5-dichloro-pyridine
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Halopyridines
Intermediate Tree Nodes
Not available
Direct Parent
Polyhalopyridines
Alternative Parents
2-halopyridines Heteroaromatic compounds Imidoyl bromides Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Chloroalkenes Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Polyhalopyridine - 2-halopyridine - Heteroaromatic compound - Imidoyl halide - Imidoyl bromide - Azacycle - Chloroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2-bromo-4,5-dichloropyridine
INCHI
InChI=1S/C5H2BrCl2N/c6-5-1-3(7)4(8)2-9-5/h1-2H
InChIKey
HLTZXARVZDCGTL-UHFFFAOYSA-N
Smiles
C1=C(C(=CN=C1Br)Cl)Cl
Isomeric SMILES
C1=C(C(=CN=C1Br)Cl)Cl
Alternate CAS
1033203-42-7
Molecular Weight
226.89
Reaxy-Rn
37226695
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37226695&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
226.880 g/mol
XLogP3
3.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
224.875 Da
Monoisotopic Mass
224.875 Da
Topological Polar Surface Area
12.900 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
101.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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