Lot numbers can be found on the outside label of a product:
Resorcinol-O,O'-diacetic acid
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CAS No. 102-39-6
- Cat. No. CS-0128372
- Purity≥98%
- MDL No.MFCD00016696
*For research and further manufacturing use only, not for direct human use.
Structure of 102-39-6
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General Information
- CAS No. 102-39-6
- Cat. No. CS-0128372
- Purity ≥98%
- MDL No. MFCD00016696
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₀O₆
- Molecular Weight 226.18
- Synonym(s) Resorcinol-O,O-Diacetic Acid
- SMILES OC(COC1=CC=CC(OCC(O)=O)=C1)=O
Description
Resorcinol-O,O'-diacetic acid features two acetic acid groups attached to the oxygen atoms of resorcinol, creating a bifunctional chelating scaffold. This structure enables strong coordination with metal ions, particularly in aqueous environments. The molecule exhibits enhanced solubility and stability under physiological conditions, making it valuable for metal complexation in biochemical and analytical applications.
Application
Resorcinol-O,O'-diacetic acid serves as a versatile bifunctional building block for the synthesis of chelating agents and functionalized heterocycles. Its two carboxylic acid groups enable efficient metal coordination, while the resorcinol core provides a stable, electron-rich scaffold for further derivatization. The compound exhibits good bench stability and facilitates straightforward purification via crystallization or ion-exchange chromatography, making it well-suited for use in ligand design and multi-step synthetic sequences.
Synthesis
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Route1
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79-11-8 -
108-46-3
- ~77%
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In-stock
102-39-6
References
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Sougoule, Aboubacar Sidiki; Mei, Zemin; Xiao, Xiao; Balde, Cheick Abdoul; Samoura, Salematou; Dolo, Arouna; Zhu, Dongsheng Journal of Organometallic Chemistry, 2014 , vol. 758, p. 19 - 24
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Route2
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66644-04-0
- ~89%
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In-stock
102-39-6
References
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Tripathi, Anamica; Kumar, Anjul; Pandey, Pramod S. Tetrahedron Letters, 2012 , vol. 53, # 43 p. 5745 - 5748
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Route3
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108-46-3
- ~%
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In-stock
102-39-6
References
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Arkivoc, , vol. 2012, # 6 p. 155 - 163
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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 93.06
- LogP 0.6134
- H_Acceptors 4
- H_Donors 2
- Rotatable_Bonds 6
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Key Words
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