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3-(chloromethyl)-5-fluoropyridine hydrochloride - 97%, high purity , CAS No.1222556-83-3
Basic Description
Synonyms
3-(Chloromethyl)-5-fluoropyridine hydrochloride | 1222556-83-3 | 3-(Chloromethyl)-5-fluoropyridine HCl | 3-(chloromethyl)-5-fluoropyridine;hydrochloride | MFCD19687170 | Pyridine, 3-(chloromethyl)-5-fluoro-, hydrochloride (1:1) | SCHEMBL2304179 | PFOZTYJEKXOWQS-UHFFFAO
Specifications & Purity
≥97%
Storage Temp
Room temperature
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 fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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-(chloromethyl)-5-fluoropyridine;hydrochloride
INCHI
InChI=1S/C6H5ClFN.ClH/c7-2-5-1-6(8)4-9-3-5;/h1,3-4H,2H2;1H
InChIKey
PFOZTYJEKXOWQS-UHFFFAOYSA-N
Smiles
C1=C(C=NC=C1F)CCl.Cl
Isomeric SMILES
C1=C(C=NC=C1F)CCl.Cl
PubChem CID
56776453
Molecular Weight
182.02
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
182.020 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
180.986 Da
Monoisotopic Mass
180.986 Da
Topological Polar Surface Area
12.900 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
89.100
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
2
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