Lot numbers can be found on the outside label of a product:
2,5-Dichloro-2,5-dimethylhexane
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CAS No. 6223-78-5
- Cat. No. CS-B0384
- Purity≥98%
- MDL No.MFCD00126854
*For research and further manufacturing use only, not for direct human use.
Structure of 6223-78-5
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General Information
- CAS No. 6223-78-5
- Cat. No. CS-B0384
- Purity ≥98%
- MDL No. MFCD00126854
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₁₆Cl₂
- Molecular Weight 183.12
- Synonym(s) Hexane, 2,5-dichloro-2,5-dimethyl-; 2,5-Dichloro-2,5-dimethylhexane
- SMILES ClC(C)(C)CCC(C)(C)Cl
Description
2,5-Dichloro-2,5-dimethylhexane features a sterically hindered alkyl backbone with two chlorine atoms positioned at the 2 and 5 carbons. This configuration imparts enhanced stability and facilitates selective functionalization in synthetic transformations. The molecule's symmetry and defined substitution pattern enable reliable use in building complex frameworks under standard conditions.
Application
2,5-Dichloro-2,5-dimethylhexane serves as a versatile synthetic building block for constructing sterically hindered alkyl frameworks. Its dichloro functionality enables sequential functionalization via substitution or elimination reactions, while the geminal dimethyl groups confer enhanced thermal stability and resistance to undesired rearrangements. The molecule’s defined stereochemistry and bench-stable nature facilitate reliable use in multi-step synthesis, particularly for accessing complex hydrocarbon scaffolds in medicinal chemistry and materials science applications.
Synthesis
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Route1
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In-stock
110-03-2 - ~97%
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In-stock
6223-78-5
References
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WISCONSIN ALUMNI RESEARCH FOUNDATION Patent: WO2007/5568 A1, 2007 ; Location in patent: Page/Page column 10 ; WO 2007/005568 A1
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Route2
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627-58-7 - ~%
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In-stock
6223-78-5
References
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Journal of the American Chemical Society, , vol. 74, p. 2885,2887
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Route3
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627-58-7
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644-97-3
- ~4%
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In-stock
6223-78-5
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82123-66-8
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82123-67-9
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82123-68-0
References
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Tetrahedron, , vol. 37, # 24 p. 4269 - 4275
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Safety Information
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GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 0
- LogP 3.8014
- H_Acceptors 0
- H_Donors 0
- Rotatable_Bonds 3
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Key Words
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