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Nitrapyrin - analytical standard, high purity , CAS No.1929-82-4
Basic Description
Synonyms
2-chloro-6-trichloromethylpyridine | alpha,alpha,alpha,6-tetrachloro-2-picoline | EC 217-682-2 | EINECS 217-682-2 | 2 -chloro-6-(trichloromethyl)pyridine | Nitrapyrin [ISO] | MLS002152872 | 2-chloro-6(trichloromethyl)pyridine | 2-Chloro-6-(trichloromethyl
Specifications & Purity
analytical standard
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Halopyridines
Intermediate Tree Nodes
Not available
Direct Parent
2-halopyridines
Alternative Parents
Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halopyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
External Descriptors
a small molecule
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-chloro-6-(trichloromethyl)pyridine
INCHI
InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H
InChIKey
DCUJJWWUNKIJPH-UHFFFAOYSA-N
Smiles
C1=CC(=NC(=C1)Cl)C(Cl)(Cl)Cl
Isomeric SMILES
C1=CC(=NC(=C1)Cl)C(Cl)(Cl)Cl
WGK Germany
2
RTECS
US7525000
UN Number
2811
Packing Group
I
Molecular Weight
230.91
Beilstein
1618997
Reaxy-Rn
1618997
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1618997&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
100 °C
Flash Point(°C)
100°C
Molecular Weight
230.900 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
230.899 Da
Monoisotopic Mass
228.902 Da
Topological Polar Surface Area
12.900 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
133.000
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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K1227021