2-(Chloro(4-chlorophenyl)methyl)pyridine - ≥95% , CAS No.142404-69-1

CAS: 142404-69-1 Cat. No.: C190886 Formule: C₁₂H₉Cl₂N Poids moléculaire: 238.11

GRADE & PURITY ≥95%

Synonyms

2-[chloro-(4-chlorophenyl)methyl]pyridine | 2-[CHLORO(4-CHLOROPHENYL)METHYL]PYRIDINE | AKOS016000210 | 2-(Chloro(4-chlorophenyl)methyl)pyridine | CCRIS 5988 | AM20080947 | DTXSID10931432 | DS-0571 | Pyridine, 2-(chloro(4-chlorophenyl)methyl)- | MFCD082723

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

2-[chloro-(4-chlorophenyl)methyl]pyridine | 2-[CHLORO(4-CHLOROPHENYL)METHYL]PYRIDINE | AKOS016000210 | 2-(Chloro(4-chlorophenyl)methyl)pyridine | CCRIS 5988 | AM20080947 | DTXSID10931432 | DS-0571 | Pyridine, 2-(chloro(4-chlorophenyl)methyl)- | MFCD082723

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: C1=CC=NC(=C1)C(C2=CC=C(C=C2)Cl)Cl
• IUPAC Name: 2-[chloro-(4-chlorophenyl)methyl]pyridine
• InChIKey: JJOZASAAOCISAR-UHFFFAOYSA-N
• INCHI: 1S/C12H9Cl2N/c13-10-6-4-9(5-7-10)12(14)11-3-1-2-8-15-11/h1-8,12H
• Isomères SMILES: C1=CC=NC(=C1)C(C2=CC=C(C=C2)Cl)Cl
• Poids moléculaire: 238.11
• Reaxy-Rn: 7920783
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7920783&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Chlorobenzene - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 238.110 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 237.011 Da
• Monoisotopic Mass: 237.011 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 190.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1