4-(chloromethyl)-3-fluoro-pyridine hydrochloride - ≥97% , CAS No.1357351-91-7

CAS: 1357351-91-7 Cat. No.: F628516 Número EC: 854-950-3 PubChem CID: 71306203

GRADE & PURITY ≥97%

Synonyms

4-Chloromethyl-3-fluoropyridine hydrochloride | 4-Chloromethyl-3-fluoro-pyridine hydrochloride | 1357351-91-7 | 4-Chloromethyl-3-fluoro-pyridine HCl | AKOS027255510 | 4-(Chloromethyl)-3-fluoropyridine hydrochloride | BPGSQKGZJGWAEJ-UHFFFAOYSA-N | SCHEMBL1

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

4-Chloromethyl-3-fluoropyridine hydrochloride | 4-Chloromethyl-3-fluoro-pyridine hydrochloride | 1357351-91-7 | 4-Chloromethyl-3-fluoro-pyridine HCl | AKOS027255510 | 4-(Chloromethyl)-3-fluoropyridine hydrochloride | BPGSQKGZJGWAEJ-UHFFFAOYSA-N | SCHEMBL1

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CN=CC(=C1CCl)F.Cl
• IUPAC Name: 4-(chloromethyl)-3-fluoropyridine;hydrochloride
• InChIKey: BPGSQKGZJGWAEJ-UHFFFAOYSA-N
• INCHI: 1S/C6H5ClFN.ClH/c7-3-5-1-2-9-4-6(5)8;/h1-2,4H,3H2;1H
• Isómeros SMILES: C1=CN=CC(=C1CCl)F.Cl
• CAS alternativo: 1357351-91-7
• PubChem CID: 71306203

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 182.020 g/mol
• 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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