3-(Chloromethyl)-5-methylpyridine, HCl - ≥97% , CAS No.1007089-84-0

CAS: 1007089-84-0 Cat. No.: C178714 Peso molecular: 178.1 Número EC: 696-091-5

GRADE & PURITY ≥97%

Synonyms

Pyridine, 3-(chloromethyl)-5-methyl-, hydrochloride (1:1) | 3-(Chloromethyl)-5-methylpyridine, HCl | 3-Methyl-5-(chloromethyl)pyridine hydrochloride | 3-(Chloromethyl)-5-methylpyridineHydrochloride | 3-(Chloromethyl)-5-methylpyridine HCl | 3-(chloromethyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Pyridine, 3-(chloromethyl)-5-methyl-, hydrochloride (1:1) | 3-(Chloromethyl)-5-methylpyridine, HCl | 3-Methyl-5-(chloromethyl)pyridine hydrochloride | 3-(Chloromethyl)-5-methylpyridineHydrochloride | 3-(Chloromethyl)-5-methylpyridine HCl | 3-(chloromethyl

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488200679
• Sonrisas canónicas: CC1=CC(=CN=C1)CCl.Cl
• IUPAC Name: 3-(chloromethyl)-5-methylpyridine;hydrochloride
• InChIKey: NCAHREJYXFDWGE-UHFFFAOYSA-N
• INCHI: 1S/C7H8ClN.ClH/c1-6-2-7(3-8)5-9-4-6;/h2,4-5H,3H2,1H3;1H
• Isómeros SMILES: CC1=CC(=CN=C1)CCl.Cl
• CAS alternativo: 158876-83-6
• Peso molecular: 178.1

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 178.060 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 177.011 Da
• Monoisotopic Mass: 177.011 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 85.000
• 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: 2

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