Lot numbers can be found on the outside label of a product:
2-Hydroxy-4-(trifluoromethyl)benzaldehyde
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CAS No. 58914-34-4
- Cat. No. CS-0051895
- Purity≥98%
- MDL No.MFCD04039240
*For research and further manufacturing use only, not for direct human use.
Structure of 58914-34-4
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General Information
- CAS No. 58914-34-4
- Cat. No. CS-0051895
- Purity ≥98%
- MDL No. MFCD04039240
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₅F₃O₂
- Molecular Weight 190.12
- Synonym(s) 2-Formyl-5-(trifluoromethyl)phenol, 4-Formyl-3-hydroxybenzotrifluoride, 4-(Trifluoromethyl)salicylaldehyde
- SMILES OC1=C(C=O)C=CC(=C1)C(F)(F)F
Description
2-Hydroxy-4-(trifluoromethyl)benzaldehyde features a strategically positioned hydroxyl group and electron-withdrawing trifluoromethyl substituent, enabling enhanced reactivity in electrophilic aromatic substitution and facilitating coordination in transition metal complexes. This bench-stable aldehyde integrates readily into synthetic sequences requiring directional functionalization and exhibits favorable solubility in polar organic solvents.
Application
2-Hydroxy-4-(trifluoromethyl)benzaldehyde serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to bioactive heterocycles. Its ortho-hydroxyl and electron-withdrawing trifluoromethyl groups enhance reactivity in coupling and cyclization reactions, while the aldehyde functionality supports straightforward derivatization. Bench-stable and compatible with standard purification methods, it facilitates robust, scalable synthesis of complex scaffolds.
Synthesis
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Route1
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896732-43-7 -
68-12-2
- ~49%
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In-stock
58914-34-4
References
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Peschke, Bernd; Bak, Sonja; Hohlweg, Rolf; Nielsen, Rita; Viuff, Dorthe; Rimvall, Karin Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 12 p. 3162 - 3165
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Route2
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In-stock
132927-09-4 - ~%
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In-stock
58914-34-4
References
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E. I. Du Pont de Nemours and Company Patent: US5474998 A1, 1995 ;
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Route3
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In-stock
349-66-6 - ~57%
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In-stock
58914-34-4
References
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Faeh, Christoph; Kuehne, Holger; Luebbers, Thomas; Mattei, Patrizio; Maugeais, Cyrille; Pflieger, Philippe Patent: US2007/185113 A1, 2007 ; Location in patent: Page/Page column 13 ;
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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 2.2235
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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