Lot numbers can be found on the outside label of a product:
Benzene-1,3,5-triyltrimethanol
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CAS No. 4464-18-0
- Cat. No. CS-W017806
- Purity≥96%
- MDL No.MFCD01108484
*For research and further manufacturing use only, not for direct human use.
Structure of 4464-18-0
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General Information
- CAS No. 4464-18-0
- Cat. No. CS-W017806
- Purity ≥96%
- MDL No. MFCD01108484
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₂O₃
- Molecular Weight 168.19
- Synonym(s) 1,3,5-Tris(hydroxymethyl)benzene
- SMILES OCC1=CC(CO)=CC(CO)=C1
Description
Benzene-1,3,5-triyltrimethanol features three hydroxymethyl groups symmetrically arranged on a benzene ring, enabling efficient multi-functionalization. This triol serves as a rigid, electron-rich scaffold for dendrimer synthesis and molecular architecture design. The compound exhibits excellent solubility in polar solvents and stability under standard handling conditions.
Application
Benzene-1,3,5-triyltrimethanol serves as a versatile tri-functional building block for the synthesis of polyfunctional scaffolds and dendritic architectures. Its three primary hydroxyl groups enable sequential derivatization under standard conditions, offering excellent stability and ease of purification. The symmetric core facilitates orthogonal functionalization, making it valuable in combinatorial chemistry, ligand design, and the construction of heterocyclic frameworks via well-established coupling protocols.
Synthesis
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Route1
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In-stock
2672-58-4 - ~99%
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In-stock
4464-18-0
References
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Merck Frosst Canada and Co. Patent: US6121253 A1, 2000 ;
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Route2
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In-stock
554-95-0 - ~91%
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In-stock
4464-18-0
References
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Ueno, Yoshihito; Inoue, Takumi; Yoshida, Mahito; Yoshikawa, Kayo; Shibata, Aya; Kitamura, Yoshiaki; Kitade, Yukio Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 19 p. 5194 - 5196
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Route3
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In-stock
77372-56-6 - ~42%
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In-stock
4464-18-0
References
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Mitsubishi Gas Chemical Company, Inc.; KANBARA, Yutaka; ABE, Takafumi; FUSHIMI, Norio Patent: EP2657214 A1, 2013 ; Location in patent: Paragraph 0030; 0032 ;
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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
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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 60.69
- LogP 0.1635
- H_Acceptors 3
- H_Donors 3
- Rotatable_Bonds 3
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Key Words
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