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

CAS: 2506-41-4 Cat. No.: C132860 Molecular Weight: 176.64 Beilstein Registry Number: 742185 EC Number: 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

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

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C2C=C(C=CC2=C1)CCl
• WGK Germany: 3
• Molecular Weight: 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
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Melt Point(°C): 47-50°C
• Molecular Weight: 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

References

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]