2-(chloromethyl)naphthalene - ≥97% , CAS No.2506-41-4

CAS: 2506-41-4 Cat. No.: C132860 Peso molecular: 176.64 Beilstein Registry Number: 742185 Número EC: 219-713-5

GRADE & PURITY ≥97%

Synonyms

AKOS000261866 | EINECS 219-713-5 | NSC408896 | NSC-408896 | 2-(Chloromethyl)naphthalene | 2-(chloromethyl)-naphthalene | 2-chloromethyl naphthalene | 2-Phenyl-2-(2-Piperidine)Acetamide | 3-chloro-methylnaphthalene | FT-0634332 | MFCD00046488 | XMM44Z9B62

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AKOS000261866 | EINECS 219-713-5 | NSC408896 | NSC-408896 | 2-(Chloromethyl)naphthalene | 2-(chloromethyl)-naphthalene | 2-chloromethyl naphthalene | 2-Phenyl-2-(2-Piperidine)Acetamide | 3-chloro-methylnaphthalene | FT-0634332 | MFCD00046488 | XMM44Z9B62

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C=C(C=CC2=C1)CCl
• IUPAC Name: 2-(chloromethyl)naphthalene
• InChIKey: MPCHQYWZAVTABQ-UHFFFAOYSA-N
• INCHI: 1S/C11H9Cl/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2
• Isómeros SMILES: C1=CC=C2C=C(C=CC2=C1)CCl
• WGK Alemania: 3
• Peso molecular: 176.64
• Beilstein: 742185
• Reaxy-Rn: 742185
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742185&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Punto de fusión (°C): 47-50°C
• Peso molecular: 176.640 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 176.039 Da
• Monoisotopic Mass: 176.039 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 144.000
• 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

Referencias

1. Mengqi Wu, Zhongkai Liu, Zhaohan Chu, Xiaoqing Wu, Jiabin Huang, Jiuzhong Yang, Bin Yang, Feng Zhang.  (2024)  A weight growth route from 2-naphthylmethyl radical to tricyclic aromatics.  PROCEEDINGS OF THE COMBUSTION INSTITUTE,      [PMID:] [10.1016/j.proci.2024.105535]