2-Chloro-3-methylpyridine - ≥98% , CAS No.18368-76-8

CAS: 18368-76-8 Cat. No.: C124347 Formule: C₆H₆ClN Poids moléculaire: 127.57 Beilstein Registry Number: 107895 Numéro CE: 242-242-1

GRADE & PURITY ≥98%

Synonyms

2-Chloro-3-picoline | SY017766 | BCP22229 | AB05179 | Q-101493 | 2-Butene, 1,3-dichloro- | 2-chloro-methyl-pyridine | C1885 | EN300-56057 | DTXSID00171461 | AM20050902 | 2-Chloro-3-methylpyridine, 97% | EINECS 242-242-1 | FT-0649047 | F8880-7769 | 2-Chlor

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

2-Chloro-3-picoline | SY017766 | BCP22229 | AB05179 | Q-101493 | 2-Butene, 1,3-dichloro- | 2-chloro-methyl-pyridine | C1885 | EN300-56057 | DTXSID00171461 | AM20050902 | 2-Chloro-3-methylpyridine, 97% | EINECS 242-242-1 | FT-0649047 | F8880-7769 | 2-Chlor

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488186429

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186429

Sourires canoniques

CC1=C(N=CC=C1)Cl

IUPAC Name

2-chloro-3-methylpyridine

InChIKey

RKVUCIFREKHYTL-UHFFFAOYSA-N

INCHI

1S/C6H6ClN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3

Isomères SMILES

CC1=C(N=CC=C1)Cl

WGK Allemagne

3

Poids moléculaire

127.57

Beilstein

107895

Reaxy-Rn

107895

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107895&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Methylpyridines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Methylpyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position 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.

DOI: 10.1186/s13321-016-0174-y

Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.533
• Point d'éclair (°F): 174.2 °F
• Point d'éclair (°C): 79°C(Lit.)
• Point d'ébullition (°C): 193°C
• Poids moléculaire: 127.570 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 127.019 Da
• Monoisotopic Mass: 127.019 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.900
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 18368-76-8, the molecular formula is C6H6ClN, and the molecular weight is 127.57 g/mol. InChIKey RKVUCIFREKHYTL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.