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

CAS: 142404-69-1 Cat. No.: C190886 Summenformel: C₁₂H₉Cl₂N Molekulargewicht: 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

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CC=NC(=C1)C(C2=CC=C(C=C2)Cl)Cl
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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