Lot numbers can be found on the outside label of a product:
3,5-Dichloro-4-hydroxybenzaldehyde
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CAS No. 2314-36-5
- Cat. No. CS-W006820
- Purity≥95%
- MDL No.MFCD00017605
*For research and further manufacturing use only, not for direct human use.
Structure of 2314-36-5
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General Information
- CAS No. 2314-36-5
- Cat. No. CS-W006820
- Purity ≥95%
- MDL No. MFCD00017605
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₄Cl₂O₂
- Molecular Weight 191.01
- Synonym(s) NSC 31590
- SMILES O=CC1=CC(Cl)=C(O)C(Cl)=C1
Description
3,5-Dichloro-4-hydroxybenzaldehyde features a hydroxyl group ortho to the aldehyde, enabling direct participation in hydrogen bonding and condensation reactions. The electron-withdrawing dichloro substituents enhance electrophilicity at the carbonyl carbon, facilitating nucleophilic addition. This bench-stable compound serves as a key building block for bioactive heterocycles and functionalized aromatics in medicinal chemistry and materials synthesis.
Application
3,5-Dichloro-4-hydroxybenzaldehyde serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted benzaldehyde scaffolds. Its ortho-hydroxyl and dichloro substituents provide enhanced reactivity for electrophilic substitution, Suzuki coupling, and direct functionalization. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic campaigns requiring regioselective derivatization.
Synthesis
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Route1
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2432-12-4 - ~93%
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In-stock
2314-36-5
References
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Jiang, Jian-An; Chen, Cheng; Guo, Ying; Liao, Dao-Hua; Pan, Xian-Dao; Ji, Ya-Fei Green Chemistry, 2014 , vol. 16, # 5 p. 2807 - 2814
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Route2
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87-65-0 -
100-97-0
- ~82%
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In-stock
2314-36-5
References
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MERCK PATENT GMBH; KADAM, Shahuraj Hanamantrao; PAKNIKAR, Shashikumar Patent: WO2011/128018 A1, 2011 ; Location in patent: Page/Page column 14 ;
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Route3
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123-08-0 - ~75%
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In-stock
2314-36-5
References
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Ngi, Samuel Inack; Petrignet, Julien; Duwald, Romain; El Hilali, El Mostafa; Abarbri, Mohamed; Duchene, Alain; Thibonnet, Jerome Advanced Synthesis and Catalysis, 2013 , vol. 355, # 14-15 p. 2936 - 2941
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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 : H315-H319-H335
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Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 37.3
- LogP 2.5115
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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