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5,6-Dichloronicotinaldehyde - 98%, high purity , CAS No.71690-05-6
Discover 5,6-Dichloronicotinaldehyde by Aladdin Scientific in 98% for only $681.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
71690-05-6 | 2,3-DICHLORO-5-FORMYLPYRIDINE | 5,6-DICHLORONICOTINALDEHYDE | 5,6-dichloropyridine-3-carbaldehyde | 5,6-dichloropyridyl-3-carboxaldehyde | 3-Pyridinecarboxaldehyde, 5,6-dichloro- | MFCD08448226 | 2,3-dichloro-5-pyridinecarboxaldehyde | SCHEMBL116316 | DTXSID50
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridine carboxaldehydes
Intermediate Tree Nodes
Not available
Direct Parent
Pyridine carboxaldehydes
Alternative Parents
Polyhalopyridines Aryl-aldehydes 2-halopyridines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-pyridine carboxaldehyde - Polyhalopyridine - 2-halopyridine - Aryl-aldehyde - Aryl chloride - Aryl halide - Heteroaromatic compound - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde group.
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
5,6-dichloropyridine-3-carbaldehyde
INCHI
InChI=1S/C6H3Cl2NO/c7-5-1-4(3-10)2-9-6(5)8/h1-3H
InChIKey
ROSCFXKNBQZLFC-UHFFFAOYSA-N
Smiles
C1=C(C=NC(=C1Cl)Cl)C=O
Isomeric SMILES
C1=C(C=NC(=C1Cl)Cl)C=O
Molecular Weight
176
Reaxy-Rn
112724
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112724&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
176.000 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
174.959 Da
Monoisotopic Mass
174.959 Da
Topological Polar Surface Area
30.000 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
131.000
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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