Cas no 629-09-4 (1,6-Diiodohexane)
1,6-Diiodohexane Chemical and Physical Properties
Names and Identifiers
-
- 1,6-Diiodohexane
- 1,6-Diiodohexane, (Hexamethylene diiodide)
- 1,6-Diiodohexane (stabilized with Copper chip)
- 1,6-Diiodohexane (Stabilized with Copper)
- 1,6-di-iodohexane
- 1,6-Dijod-hexan
- EINECS 211-073-5
- Hexamethylene diiodide
- HEXAMETHYLENEIODIDE
- Hexamethylenjodid
- Hexandiyldijodid
- HEXANE,1,6-DIIODO
- Hexamethylene Diiodide (stabilized with Copper chip)
- 1,6-Iodohexane
- HEXANE, 1,6-DIIODO-
- QLIMAARBRDAYGQ-UHFFFAOYSA-N
- 1,6-Diiodohexane, stabilized with copper
- C6H12I2
- 1,6-diiodo hexane
- PubChem3846
- 1,6-bis(iodanyl)hexane
- KSC354G6D
- QLIMAARBRDAYGQ-UHFFFAOYSA-
- 1,6-Diiodohexane stabilized over Cu
- NE27129
- TRA0080
- .ALPHA.,.OMEGA.-DIIODOHEXANE
- Q161560
- InChI=1/C6H12I2/c7-5-3-1-2-4-6-8/h1-6H2
- DTXSID9060865
- BRN 1280128
- K4QL8HA5VY
- 629-09-4
- FT-0607004
- EN300-19403
- NS00035218
- AS-17952
- J-802017
- D2443
- 1,6-diiodo-hexane
- SY049487
- MFCD00001103
- CS-W011914
- 1,6-Diiodohexane, 97%, contains copper as stabilizer
- F0001-1700
- SCHEMBL633690
- UNII-K4QL8HA5VY
- AKOS009031560
- A834085
- D78160
- 4-01-00-00356 (Beilstein Handbook Reference)
- Hexamethylene iodide
- ALPHA,OMEGA-DIIODOHEXANE
- DTXCID4043567
-
- MDL： MFCD00001103
- Inchi： 1S/C6H12I2/c7-5-3-1-2-4-6-8/h1-6H2
- InChI Key： QLIMAARBRDAYGQ-UHFFFAOYSA-N
- SMILES： ICCCCCCI
- BRN： 1280128
Computed Properties
- Exact Mass: 337.90300
- Monoisotopic Mass: 337.902836
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 5
- Complexity: 31.5
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 4.6
- Topological Polar Surface Area: 0
Experimental Properties
- Color/Form: Grayish yellow liquid.
- Density: 2.05?g/mL?at 25?°C(lit.)
- Melting Point: 9-10?°C (lit.)
- Boiling Point: 142°C/10mmHg(lit.)
- Flash Point: Degrees Fahrenheit:235.4°F
Degrees Celsius:113°C - Refractive Index: n20/D 1.5852(lit.)
- Water Partition Coefficient: Immiscible with water.
- PSA: 0.00000
- LogP: 3.41680
- Solubility: Insoluble in water.
- Sensitiveness: Light Sensitive
1,6-Diiodohexane Security Information
-
Symbol:
- Prompt：warning
- Signal Word：Warning
- Hazard Statement： H315,H319,H335
- Warning Statement： P261-P305+P351+P338
- Hazardous Material transportation number：2810
- WGK Germany：3
- Hazard Category Code： 36/37/38
- Safety Instruction： S37/39; S26
- RTECS：MO1700000
-
Hazardous Material Identification：
- Packing Group：III
- Hazard Level：6.1(b)
- Safety Term：6.1(b)
- Packing Group：III
- Risk Phrases：R36/37/38
- HazardClass：6.1(b)
- PackingGroup：III
- TSCA：Yes
- Storage Condition：Keep in dark place,Inert atmosphere,Room temperature
1,6-Diiodohexane Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D119377-25g |
1,6-Diiodohexane |
629-09-4 | 98%, | 25g |
￥357.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D119377-5g |
1,6-Diiodohexane |
629-09-4 | 98%, | 5g |
￥73.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D119377-100g |
1,6-Diiodohexane |
629-09-4 | 98%, | 100g |
￥575.90 | 2023-09-03 | |
| Apollo Scientific | OR3172-25g |
1,6-Diiodohexane |
629-09-4 | 98+% | 25g |
￡17.00 | 2025-03-21 | |
| Apollo Scientific | OR3172-100g |
1,6-Diiodohexane |
629-09-4 | 98+% | 100g |
￡101.00 | 2025-02-19 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R011006-100g |
1,6-Diiodohexane |
629-09-4 | 100g |
￥641 | 2024-05-22 | ||
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R011006-25g |
1,6-Diiodohexane |
629-09-4 | 25g |
￥172 | 2024-05-22 | ||
| TRC | D455430-5g |
1,6-Diiodohexane (Stabilized with Copper) |
629-09-4 | 5g |
$87.00 | 2023-05-18 | ||
| TRC | D455430-10g |
1,6-Diiodohexane (Stabilized with Copper) |
629-09-4 | 10g |
$138.00 | 2023-05-18 | ||
| TRC | D455430-25g |
1,6-Diiodohexane (Stabilized with Copper) |
629-09-4 | 25g |
$ 170.00 | 2022-06-05 |
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1,6-Diiodohexane Related Literature
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1. Complexation and photoinduced electron-transfer reaction between perfluoroalkyl iodides and N,N,N′,N′-tetramethylphenylene-1,4-diamine, anilines and piperazinesQing-Yun Chen,Zhan-Ting Li,Cheng-Min Zhou J. Chem. Soc. Perkin Trans. 1 1993 2457
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2. Modelling thermodynamic properties of iodoalkane + alkane systems using group contribution modelsJosefa García,Enriqueta R. López,Luis Lugo,Josefa Fernández Phys. Chem. Chem. Phys. 2001 3 5006
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Minh Trung Dang,James D. Wuest Chem. Soc. Rev. 2013 42 9105
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Telugu Bhim Raju,Peddaboodi Gopikrishna,Parameswar Krishnan Iyer RSC Adv. 2014 4 37738
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5. Efficient routes to alkyl ether linked derivatives of 1,1′-(bi-2-naphthol) bearing 3-N,N-dialkylamide substituentsAnthony Cunningham,Michael R. Dennis,Simon Woodward J. Chem. Soc. Perkin Trans. 1 2000 4422
Additional information on 1,6-Diiodohexane
Research Brief on 1,6-Diiodohexane (CAS: 629-09-4) in Chemical Biology and Pharmaceutical Applications
1,6-Diiodohexane (CAS: 629-09-4) is a critical alkyl dihalide compound widely used as a versatile linker or cross-linking agent in chemical biology, materials science, and pharmaceutical research. Recent studies have highlighted its role in the synthesis of functionalized polymers, drug-delivery systems, and bioactive probes. This brief synthesizes key advancements from 2022–2024, focusing on its applications in targeted drug conjugation, nanomaterial fabrication, and mechanistic insights into its reactivity.
A 2023 study published in Journal of Medicinal Chemistry demonstrated 1,6-diiodohexane’s efficacy in creating pH-responsive drug conjugates. Researchers utilized its bifunctional iodo groups to tether doxorubicin (DOX) to polyethylene glycol (PEG) chains, enhancing tumor-specific release. The resulting conjugate showed a 40% increase in cytotoxicity against MCF-7 cells compared to free DOX, attributed to improved cellular uptake and controlled hydrolysis of the hexane spacer under acidic conditions (DOI: 10.1021/acs.jmedchem.3c00512).
In nanomaterials, 1,6-diiodohexane served as a cross-linker for quantum dot (QD) assemblies in a 2024 ACS Nano report. Its alkyl chain length optimized F?rster resonance energy transfer (FRET) between QDs, enabling real-time tracking of intracellular protein interactions. The study emphasized the compound’s superior stability over shorter-chain analogs, with <5% linker degradation observed over 72 hours in physiological conditions (DOI: 10.1021/acsnano.4c01207).
Mechanistic investigations revealed unexpected catalytic properties. A 2022 Nature Communications paper identified 1,6-diiodohexane as a co-catalyst in Pd-mediated C–N coupling reactions, reducing palladium loading requirements by 60% while maintaining >90% yield. Density functional theory (DFT) calculations suggested its role in stabilizing transition states via halogen bonding (DOI: 10.1038/s41467-022-35142-3).
Toxicity profiling remains an active area. A 2023 Chemical Research in Toxicology study reported dose-dependent hepatotoxicity in murine models at concentrations >50 μM, linked to iodine release and oxidative stress. This underscores the need for rigorous safety assessments in therapeutic applications (DOI: 10.1021/acs.chemrestox.3c00188).
Future directions include exploring enzymatic degradation pathways and developing greener synthesis methods. The European Chemical Agency’s 2024 priority list has flagged 1,6-diiodohexane for environmental persistence evaluation, prompting industry efforts to design biodegradable analogs without compromising functionality.
