GRADE & PURITY ≥98%

Synonyms

MLS001359902 | NSC-54514 | Pyridine, 2-[(4-chlorophenyl)methyl]- | XSVWMIMFDMJQRL-UHFFFAOYSA- | D75988 | N5G57JE9C2 | SMR001224386 | 2-(p-Chlorobenzyl)pyridine | 2-(p-chlorobenzyl)-pyridine | SB55067 | SY049280 | 2-p-chlorobenzylpyridine | 2-(4'-Chloroben

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MLS001359902 | NSC-54514 | Pyridine, 2-[(4-chlorophenyl)methyl]- | XSVWMIMFDMJQRL-UHFFFAOYSA- | D75988 | N5G57JE9C2 | SMR001224386 | 2-(p-Chlorobenzyl)pyridine | 2-(p-chlorobenzyl)-pyridine | SB55067 | SY049280 | 2-p-chlorobenzylpyridine | 2-(4'-Chloroben

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488185501
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185501
• Sonrisas canónicas: C1=CC=NC(=C1)CC2=CC=C(C=C2)Cl
• IUPAC Name: 2-[(4-chlorophenyl)methyl]pyridine
• InChIKey: XSVWMIMFDMJQRL-UHFFFAOYSA-N
• INCHI: 1S/C12H10ClN/c13-11-6-4-10(5-7-11)9-12-3-1-2-8-14-12/h1-8H,9H2
• Isómeros SMILES: C1=CC=NC(=C1)CC2=CC=C(C=C2)Cl
• Peso molecular: 203.67
• Beilstein: 20(3/4)3650
• Reaxy-Rn: 133425
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=133425&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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 Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Chlorobenzene - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Objetivos asociados (humanos)

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.5850 to 1.5880
• Punto de inflamación (°F): 230°F
• Punto de inflamación (°C): 110°C
• Punto de ebullición (°C): 181-183°/20mm
• Punto de fusión (°C): 8℃
• Peso molecular: 203.670 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 203.05 Da
• Monoisotopic Mass: 203.05 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 164.000
• 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: 1