Cas no 1653-16-3 (Heptane,3-(iodomethyl)-)
Heptane,3-(iodomethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Heptane,3-(iodomethyl)-
- 3-(iodomethyl)heptane
- EthylHexylIodide,2-
- 2-ETHYLHEXYL IODIDE
- 2-ETHYL-1-IODOHEXANE
- 3-(iodomethyl)-heptan
-
- Inchi： 1S/C8H17I/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
- InChI Key： WNPGSEJRPYSCDQ-UHFFFAOYSA-N
- SMILES： ICC(CC)CCCC
Computed Properties
- Exact Mass: 240.03700
- Monoisotopic Mass: 240.037494
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 9
- Rotatable Bond Count: 5
- Complexity: 52.5
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 5
- Topological Polar Surface Area: 0
Experimental Properties
- Color/Form: Not determined
- Density: 1.337?g/mL?at 25?°C(lit.)
- Melting Point: -45.7°C (estimate)
- Boiling Point: 90?°C/18?mmHg(lit.)
- Flash Point: Fahrenheit: 174.2 ° f < br / > Celsius: 79 ° C < br / >
- Refractive Index: n20/D 1.491(lit.)
- Solubility: Almost insoluble (0.015 g/l) (25 o C),
- PSA: 0.00000
- LogP: 3.63780
- Solubility: Not determined
Heptane,3-(iodomethyl)- Security Information
-
Symbol:
- Signal Word：Warning
- Hazard Statement： H315-H319-H335
- Warning Statement： P261-P305+P351+P338
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 36/37/38
- Safety Instruction： S26; S36
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Hazardous Material Identification：
- Risk Phrases：R36/37/38
Heptane,3-(iodomethyl)- Customs Data
- HS CODE：2903399090
- Customs Data：
China Customs Code:
2903399090Overview:
2903399090. Fluorination of other acyclic hydrocarbons\Brominated or iodinated derivatives. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2903399090. brominated,fluorinated or iodinated derivatives of acyclic hydrocarbons. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
Heptane,3-(iodomethyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 444359-50ML |
Heptane,3-(iodomethyl)- |
1653-16-3 | 50ml |
￥3307.82 | 2023-12-06 | ||
| City Chemical | E656-100GM |
2-Ethylhexyl Iodide |
1653-16-3 | 100gm |
$170.08 | 2023-09-19 | ||
| A2B Chem LLC | AA88024-5g |
2-Ethylhexyl iodide |
1653-16-3 | 99%;RG | 5g |
$48.00 | 2024-04-20 | |
| A2B Chem LLC | AA88024-100g |
2-Ethylhexyl iodide |
1653-16-3 | 99%;RG | 100g |
$691.00 | 2024-04-20 | |
| Ambeed | A222414-5g |
2-Ethylhexyliodide |
1653-16-3 | 5g |
$33.0 | 2024-04-23 | ||
| Ambeed | A222414-25g |
2-Ethylhexyliodide |
1653-16-3 | 25g |
$155.0 | 2024-04-23 | ||
| Ambeed | A222414-100g |
2-Ethylhexyliodide |
1653-16-3 | 100g |
$589.0 | 2024-04-23 | ||
| abcr | AB635522-1g |
3-(Iodomethyl)heptane; . |
1653-16-3 | 1g |
€93.80 | 2025-04-20 | ||
| abcr | AB635522-5g |
3-(Iodomethyl)heptane; . |
1653-16-3 | 5g |
€166.80 | 2025-04-20 | ||
| abcr | AB635522-25g |
3-(Iodomethyl)heptane; . |
1653-16-3 | 25g |
€420.20 | 2025-04-20 |
Heptane,3-(iodomethyl)- Suppliers
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Heptane,3-(iodomethyl)- Related Literature
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Moheddine Wehbie,Guilhem Arrachart,Xavier F. Le Goff,Iyad Karamé,Stéphane Pellet-Rostaing Dalton Trans. 2018 47 14594
-
Cigdem Sahin,Ilker Oner,Canan Varlikli RSC Adv. 2014 4 46831
Additional information on Heptane,3-(iodomethyl)-
Comprehensive Guide to Heptane,3-(iodomethyl)- (CAS No. 1653-16-3): Properties, Applications, and Market Insights
Heptane,3-(iodomethyl)- (CAS No. 1653-16-3) is a specialized organic compound with significant relevance in synthetic chemistry and industrial applications. This halogenated derivative of heptane features an iodine-substituted methyl group at the third carbon position, making it a valuable intermediate in organic synthesis. Its unique molecular structure, C8H17I, combines hydrocarbon stability with the reactivity of iodine, enabling diverse chemical transformations.
The compound's physical properties include a molecular weight of 240.12 g/mol and characteristic solubility in common organic solvents like dichloromethane, ethyl acetate, and tetrahydrofuran. Researchers particularly value 3-(iodomethyl)heptane for its role in cross-coupling reactions, where the iodine atom serves as an excellent leaving group in palladium-catalyzed processes. Recent studies highlight its utility in constructing complex molecular architectures for pharmaceutical intermediates and advanced materials.
In pharmaceutical applications, Heptane,3-(iodomethyl)- serves as a building block for drug discovery programs. Its ability to introduce heptyl chains into target molecules makes it valuable for modifying drug solubility and bioavailability. The compound has shown particular promise in the development of lipid-soluble therapeutic agents, where its hydrocarbon tail can enhance membrane permeability. Current research explores its use in prodrug synthesis and controlled-release formulations.
The material science sector utilizes 1653-16-3 in the production of specialty polymers and surface modifiers. When incorporated into polymer backbones, the heptyl chain contributes to desirable mechanical properties while the iodine functionality allows for subsequent modifications. This dual functionality makes 3-(iodomethyl)heptane particularly useful in creating self-assembling monolayers for nanotechnology applications and hydrophobic coatings for industrial equipment.
From an environmental perspective, researchers are investigating green chemistry approaches for utilizing Heptane,3-(iodomethyl)- more sustainably. Recent advancements include catalyst recycling systems that minimize iodine waste and solvent-free reaction conditions that reduce environmental impact. These developments align with growing industry demands for eco-friendly synthetic protocols while maintaining the compound's synthetic utility.
The global market for iodoheptane derivatives like 1653-16-3 has shown steady growth, driven by increasing demand from the pharmaceutical and advanced materials sectors. Market analysts note particular expansion in Asia-Pacific regions, where growing research infrastructure and chemical manufacturing capabilities are creating new opportunities. Current price trends reflect the compound's specialized nature, with purity grades above 98% commanding premium values in research markets.
Handling Heptane,3-(iodomethyl)- requires standard organic chemistry safety protocols. While not classified as hazardous under normal conditions, proper personal protective equipment including gloves and eye protection is recommended. Storage should be in amber glass containers under inert atmosphere to prevent potential degradation, with particular attention to avoiding prolonged exposure to light which may affect the iodine moiety.
Future research directions for CAS 1653-16-3 include exploring its potential in click chemistry applications and as a precursor for organometallic complexes. The compound's versatility continues to attract interest from both academic and industrial researchers, particularly in developing new synthetic methodologies and functional materials. Ongoing studies are examining its behavior under various catalytic conditions to expand its utility in complex molecule construction.
For researchers sourcing 3-(iodomethyl)heptane, quality verification through NMR spectroscopy and HPLC analysis is essential to ensure compound purity. Reputable suppliers typically provide comprehensive analytical data sheets and certificates of analysis. The compound's stability profile allows for international shipping under standard chemical transport regulations, though proper documentation of its chemical composition is required for customs clearance in most jurisdictions.
The scientific literature contains numerous references to Heptane,3-(iodomethyl)- in contexts ranging from mechanistic studies to applied synthetic chemistry. Recent publications highlight innovative uses in asymmetric synthesis and cascade reactions, demonstrating the compound's continuing relevance in modern chemical research. Its combination of hydrocarbon structure and reactive halogen makes it a versatile tool for addressing synthetic challenges across multiple chemistry disciplines.
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