Lot numbers can be found on the outside label of a product:
2-Amino-4-fluorophenol
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CAS No. 399-97-3
- Cat. No. CS-W007691
- Purity≥95%
- MDL No.MFCD00077451
*For research and further manufacturing use only, not for direct human use.
Structure of 399-97-3
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General Information
- CAS No. 399-97-3
- Cat. No. CS-W007691
- Purity ≥95%
- MDL No. MFCD00077451
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₆FNO
- Molecular Weight 127.12
- Synonym(s) 5-Fluoro-2-hydroxyaniline
- SMILES NC1=C(O)C=CC(F)=C1
Description
2-Amino-4-fluorophenol features a strategically positioned fluorine atom adjacent to a hydroxyl group, enhancing electronic effects for targeted synthetic transformations. The amino and phenolic functionalities enable direct coupling in pharmaceutical intermediates, while the molecule's bench-stable nature supports reliable handling under standard conditions.
Application
2-Amino-4-fluorophenol serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated heterocycles and bioactive scaffolds. Its ortho-diamino-phenolic motif facilitates efficient coupling reactions and cyclization processes, while the fluorine substituent enhances metabolic stability and modulates electronic properties. The compound exhibits good bench stability and is compatible with standard purification techniques, making it a practical choice for iterative synthesis campaigns in API development.
Synthesis
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Route1
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In-stock
394-33-2 - ~98%
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In-stock
399-97-3
References
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DAIICHI PHARMACEUTICAL CO., LTD. Patent: EP1346982 A1, 2003 ;
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Route2
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109-60-4 -
In-stock
394-33-2
- ~91%
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In-stock
399-97-3
References
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Eastman Kodak Company Patent: US6482985 B1, 2002 ;
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Route3
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In-stock
371-41-5 - ~%
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In-stock
399-97-3
References
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Ayrton, Stephen T.; Panova, Jekaterina; Michalik, Adam R.; Martin, William H.C.; Gallagher, Richard T.; Bowen, Richard D. International Journal of Mass Spectrometry, 2013 , vol. 345-347, p. 120 - 131
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Safety Information
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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-P330-P362-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 46.25
- LogP 1.1135
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 0
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Key Words
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