Lot numbers can be found on the outside label of a product:
(4-Fluorophenyl)methanol
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CAS No. 459-56-3
- Cat. No. CS-0043595
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 459-56-3
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General Information
- CAS No. 459-56-3
- Cat. No. CS-0043595
- Purity ≥97%
- MDL No. None
- Storage RT, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₇FO
- Molecular Weight 126.13
- Synonym(s) 4-Fluorobenzylaclohol
- SMILES OCC1=CC=C(F)C=C1
Description
Used to convert alcohols to alkyl halides, as a peptide coupling agent, and, in combination with ozone, as a low-temperature source of singlet oxygen, and ligand for metal-catalyzed reactions. Also used as reagent in the preparation of mixed valent nickel diphosphine dithiolate bridged iron carbonyl phosphine complexes as models of [NiFe]-hydrogenase active site.
Application
(4-Fluorophenyl)methanol serves as a versatile building block in medicinal chemistry, enabling direct introduction of a fluorinated benzyl moiety into target molecules. Its stable aldehyde functionality facilitates transformations including oxidation to the carboxylic acid, reduction to the primary alcohol, and coupling reactions via activated derivatives. The molecule exhibits good bench stability and functional group tolerance, making it suitable for use in multi-step syntheses and heterocycle construction.
Synthesis
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Route1
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459-57-4 - ~1%
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In-stock
459-56-3
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932724-63-5 -
In-stock
140-75-0 -
100-46-9
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134227-41-1
References
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Clariant Specialty Fine Chemicals (Deutschland) Patent: US2007/78282 A1, 2007 ; Location in patent: Page/Page column 2 ;
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Route2
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459-57-4
- ~99%
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In-stock
459-56-3
References
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Parihar, Swati; Kumar, Amit; Chaturvedi, Amit K.; Sachan, Naresh Kumar; Luqman, Suaib; Changkija, Bendangla; Manohar, Murli; Prakash, Om; Chanda; Khan, Feroz; Chanotiya; Shanker, Karuna; Dwivedi, Anila; Konwar, Rituraj; Negi, Arvind S. Journal of Steroid Biochemistry and Molecular Biology, 2013 , vol. 137, p. 332 - 344
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Route3
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459-57-4
- ~13%
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In-stock
459-56-3
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In-stock
140-75-0
References
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Lai, Rung-Yi; Lee, Chun-I.; Liu, Shiuh-Tzung Tetrahedron, 2008 , vol. 64, # 7 p. 1213 - 1217
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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 20.23
- LogP 1.318
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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