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3-Chloro-4-ethynylpyridine - 97%, high purity , CAS No.1196156-71-4
Discover 3-Chloro-4-ethynylpyridine by Aladdin Scientific in 97% for only $241.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
3-chloro-4-ethynylpyridine | 1196156-71-4 | 1379109-40-6 | SCHEMBL5700051 | DTXSID20634109 | WXB15671 | MFCD13189773 | AKOS026675515 | AB69087 | PS-5391 | CS-0445716 | EN300-1963880 | A922210
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyridines and derivatives
Alternative Parents
Aryl chlorides Heteroaromatic compounds Azacyclic compounds Acetylides Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Acetylide - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
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
3-chloro-4-ethynylpyridine
INCHI
InChI=1S/C7H4ClN/c1-2-6-3-4-9-5-7(6)8/h1,3-5H
InChIKey
HBIXKYZHQNPYGN-UHFFFAOYSA-N
Smiles
C#CC1=C(C=NC=C1)Cl
Isomeric SMILES
C#CC1=C(C=NC=C1)Cl
Molecular Weight
137.6
Reaxy-Rn
35190801
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35190801&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
137.560 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
137.003 Da
Monoisotopic Mass
137.003 Da
Topological Polar Surface Area
12.900 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
135.000
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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