1-Iodoadamantane - ≥95% , CAS No.768-93-4

CAS: 768-93-4 Cat. No.: I472626 Molecular Weight: 262.13
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
1-odoadamantane | (3s,5s,7s)-1-iodoadamantane | 1-Adamantyl iodide | Adamantyl iodide | 1-iodo-adamantane | 1-Iodotricyclo[3.3.1.13,7]decane
Storage
Store at 2-8°C,Protected from light
Shipped In
Wet ice
Size
Status
Price
Qty
1g
I472626-1g
5

$64.90

$97.90
Save $33.00 (33.71%)
5g
I472626-5g
3

$238.90

$358.90
Save $120.00 (33.44%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Protected from light Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Description

1-Iodoadamantane is a haloadamantane. Voltammetric reduction of 1-iodoadamantane at a silver cathode in tetrahydrofuran (THF) and acetonitrile (ACN) is reported to involve a single electron forming a mixture of monomeric and dimeric products. The photoinduced reaction of 1-iodoadamantane in DMSO is reported to afford substitution products on C3, C6, and C8, 1-adamantanol, 1-adamantyl 2-naphthyl ether, and adamantine. The photostimulated reaction of the phthalimide anion with 1-iodoadamantane is reported to yield 3-(1-adamantyl) phthalimide and 4-(1-adamantyl) phthalimide, along with the reduction product adamantane. 1-Iodoadamantane is reported to undergoe photostimulated reaction with the enolate anion of acetone, acetophenone and propiophenone to give admantane and the substitution products.1-Iodoadamantane is suitable reagent used to evaluate the rate constants for the reduction of haloadamantanes by SmI2in presence of hexamethylphosphoramide (HMPA) and H2O by GC/MS-analyzed method. It may be used as iodine atom donor for probing the intermediacy of radical to investigate the chemistry of highly reactive, strained systems such as propellane. It may be used as starting reagent in the synthesis ofN-(1-adamantyl)acetamidevianucleophilic substitution. It may be employed in the free-radical carbonylation reactions with alkenes.

Specifications

Synonyms
1-odoadamantane | (3s, 5s, 7s)-1-iodoadamantane | 1-Adamantyl iodide | Adamantyl iodide | 1-iodo-adamantane | 1-Iodotricyclo[3.3.1.13, 7]decane
Specifications & Purity
≥95%
Storage
Store at 2-8°C, Protected from light
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥95%
Product Properties
ALogP3.665
Names and Identifiers
Pubchem Sid488187889
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488187889
Canonical SmilesC1C2CC3CC1CC(C2)(C3)I
IUPAC Name1-iodoadamantane
InChIKeyPXVOATXCSSPUEM-UHFFFAOYSA-N
INCHI1S/C10H15I/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
Isomeric SMILES C1C2CC3CC1CC(C2)(C3)I
Molecular Weight 262.13
Reaxy-Rn 2038787
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2038787&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganohalogen compounds
ClassOrganoiodides
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentOrganoiodides
Alternative Parents Hydrocarbon derivatives  Alkyl iodides  
Molecular FrameworkAliphatic homopolycyclic compounds
Substituents Hydrocarbon derivative - Organoiodide - Alkyl iodide - Alkyl halide - Aliphatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as organoiodides. These are compounds containing a chemical bond between a carbon atom and an iodine atom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDateItem
K2425407Certificate of AnalysisNov 13, 2024 I472626
K2425416Certificate of AnalysisNov 13, 2024 I472626
C2301712Certificate of AnalysisFeb 20, 2023 I472626
C2301720Certificate of AnalysisFeb 20, 2023 I472626
Chemical and Physical Properties
SensitivityMoisture sensitive;Light sensitive
DMSO(mg / mL) Max Solubility52
DMSO(mM) Max Solubility198.374852172586
Water(mg / mL) Max Solubility-1
Melt Point(°C)75-76 °C (lit.)
Molecular Weight262.130 g/mol
XLogP34.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass262.022 Da
Monoisotopic Mass262.022 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count11
Formal Charge0
Complexity144.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Solution Calculators
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