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2-Amino-3,4,5-trichloropyridine - 95%, high purity , CAS No.55933-91-0
Basic Description
Synonyms
3,4,5-trichloropyridin-2-amine | 55933-91-0 | 2-Amino-3,4,5-trichloropyridine | MFCD08705655 | SCHEMBL7911779 | DTXSID60472825 | AKOS006288814 | SB22745 | AC-27066 | DS-15880 | SY042366 | CS-0051612 | FT-0646326 | 2-Amino-3,4,5-trichloropyridine, AldrichCPR | EN300-170774 | A830863
Specifications & Purity
≥95%
Storage Temp
Room temperature
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
Aminopyridines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Polyhalopyridine - Aminopyridine - Imidolactam - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - 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
Pubchem Sid
504766739
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504766739
IUPAC Name
3,4,5-trichloropyridin-2-amine
INCHI
InChI=1S/C5H3Cl3N2/c6-2-1-10-5(9)4(8)3(2)7/h1H,(H2,9,10)
InChIKey
BWSNIHZGJLDIMW-UHFFFAOYSA-N
Smiles
C1=C(C(=C(C(=N1)N)Cl)Cl)Cl
Isomeric SMILES
C1=C(C(=C(C(=N1)N)Cl)Cl)Cl
UN Number
2811
Packing Group
III
Molecular Weight
197.45
Reaxy-Rn
135626
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135626&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
197.450 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
195.936 Da
Monoisotopic Mass
195.936 Da
Topological Polar Surface Area
38.900 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
121.000
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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C2218197