Lot numbers can be found on the outside label of a product:
5-Chloro-2-hydroxy-4-methylbenzaldehyde
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CAS No. 3328-68-5
- Cat. No. CS-0153525
- Purity≥98%
- MDL No.MFCD03094618
*For research and further manufacturing use only, not for direct human use.
Structure of 3328-68-5
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General Information
- CAS No. 3328-68-5
- Cat. No. CS-0153525
- Purity ≥98%
- MDL No. MFCD03094618
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇ClO₂
- Molecular Weight 170.59
- Synonym(s) 5-Chloro-2-Hyroxy-4-Methylbenzaldehyde (5-Chloro-4-Methylsalicylaldehyde)
- SMILES CC1=C(C=C(C=O)C(=C1)O)Cl
Description
5-Chloro-2-hydroxy-4-methylbenzaldehyde features a hydroxyl group ortho to the aldehyde, enabling chelation and enhanced stability, while the chloro and methyl substituents provide electronic modulation and steric control. This combination supports efficient coupling in synthetic sequences and facilitates incorporation into bioactive scaffolds under standard conditions.
Application
5-Chloro-2-hydroxy-4-methylbenzaldehyde serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted benzene scaffolds. The aldehyde group facilitates nucleophilic additions and condensation reactions, while the phenolic hydroxyl supports derivatization and metal-catalyzed coupling processes. Its chlorine and methyl substituents provide orthogonal reactivity handles for further functionalization. This compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for medicinal chemistry campaigns and process development workflows.
Synthesis
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Route1
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59-50-7 -
67-66-3
- ~55%
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In-stock
3328-68-5
References
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Vibhute, Yeshwant B.; Lonkar, Subhash M.; Sayyed, Mudassar A.; Baseer, Mohammad A. Mendeleev Communications, 2007 , vol. 17, # 1 p. 51 - 51
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Route2
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59-50-7
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100-97-0
- ~%
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In-stock
3328-68-5
References
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Journal of the Chemical Society, , p. 547,549 Proceedings of the Iowa Academy of Science, , vol. 52, p. 191,195 Journal of the Chemical Society, , p. 1512,1514
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Route3
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59-50-7
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100-97-0
- ~%
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In-stock
3328-68-5
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158629-98-2
References
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Journal of the Chemical Society, , p. 547,549
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Safety Information
Download SDS|
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 37.3
- LogP 2.16652
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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