1-Chloroadamantane


Chemical Name: 1-Chloroadamantane
CAS Number: 935-56-8
Product Number: AG003E8H(AGN-PC-0WALZS)
Synonyms:
MDL No:
Molecular Formula: C10H15Cl
Molecular Weight: 170.6791

Identification/Properties


Properties
MP:
163-166 °C
BP:
232.8°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.6012 (estimate)
Computed Properties
Molecular Weight:
170.68g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
0
Exact Mass:
170.086g/mol
Monoisotopic Mass:
170.086g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
144
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-Chloroadamantane, a chemical compound also known as 1-chlorotricyclo[3.3.1.13,7]decane, plays a versatile role in chemical synthesis. This halogenated adamantane derivative serves as a valuable building block in the creation of various organic compounds due to its unique structural properties and reactivity.In organic synthesis, 1-Chloroadamantane is commonly utilized as a precursor in the preparation of more complex molecules through functional group transformations. Its stable three-dimensional structure and the presence of a reactive chlorine atom make it an ideal starting material for the introduction of different functional groups.The reactivity of the chlorine atom in 1-Chloroadamantane allows for selective substitution reactions to occur, leading to the formation of new carbon-carbon or carbon-heteroatom bonds. This compound can undergo nucleophilic substitution, radical reactions, and transition metal-catalyzed transformations to generate diverse organic products.Furthermore, 1-Chloroadamantane's rigid and cage-like structure imparts specific stereochemical outcomes in reactions, making it a valuable tool in asymmetric synthesis and the creation of chiral molecules. By strategically incorporating this compound into synthetic routes, chemists can access a wide range of structurally complex and biologically active compounds efficiently.Overall, the strategic use of 1-Chloroadamantane in chemical synthesis enables the synthesis of novel organic molecules, natural product derivatives, pharmaceutical intermediates, and advanced materials with tailored properties. Its unique reactivity and structural characteristics make it an indispensable component in the toolkit of synthetic chemists seeking to access diverse chemical space and explore new avenues in molecular design and discovery.