1-Chloroadamantane - ≥98%(GC) , CAS No.935-56-8

CAS: 935-56-8 Cat. No.: C153451 Molecular Weight: 170.68 EC Number: 213-305-0

GRADE & PURITY ≥98%(GC)

Synonyms

EN300-225975 | Tricyclo(3.3.1.13,7)decane, 1-chloro- | 1-Chlorotricyclo(3.3.1.13,7)decane | D73278 | 1-Adamantyl chloride | EINECS 213-305-0 | SCHEMBL192524 | AMANTADINE HYDROCHLORIDE IMPURITY A [EP IMPURITY] | ADAMANTANE,1-CHLORO | Adamantane, 1-chloro-

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

description：

An unusual zwitterionic diradical intermediate complex was generated during the photoinduced electron-transfer substitution reaction between 1-chloroadamantane and tert-butylamine system in a hydrocarbon glass.

application：

1-Chloroadamantane was employed as precursor for the synthesis of perfluoroadmantane derivatives via aerosol direct fluorination.

Specifications

Synonyms

EN300-225975 | Tricyclo(3.3.1.13, 7)decane, 1-chloro- | 1-Chlorotricyclo(3.3.1.13, 7)decane | D73278 | 1-Adamantyl chloride | EINECS 213-305-0 | SCHEMBL192524 | AMANTADINE HYDROCHLORIDE IMPURITY A [EP IMPURITY] | ADAMANTANE, 1-CHLORO | Adamantane, 1-chloro-

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504753910
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753910
• Canonical Smiles: C1C2CC3CC1CC(C2)(C3)Cl
• IUPAC Name: 1-chloroadamantane
• InChIKey: OZNXTQSXSHODFR-UHFFFAOYSA-N
• INCHI: 1S/C10H15Cl/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
• Isomeric SMILES: C1C2CC3CC1CC(C2)(C3)Cl
• WGK Germany: 3
• Molecular Weight: 170.68
• Reaxy-Rn: 1852571
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1852571&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
• 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

• Solubility: Poorly soluble in water. Soluble in hydrocarbons. But readily soluble in nonpolar organic solvents.
• Sensitivity: Air and moisture sensitive
• Melt Point(°C): 166 °C
• Molecular Weight: 170.680 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 170.086 Da
• Monoisotopic Mass: 170.086 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• 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