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

CAS: 1007089-84-0 Cat. No.: C178714 Molecular Weight: 178.1 EC Number: 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

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

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488200679
• Canonical Smiles: 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
• Isomeric SMILES: CC1=CC(=CN=C1)CCl.Cl
• Alternate CAS: 158876-83-6
• Molecular Weight: 178.1

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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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