Lot numbers can be found on the outside label of a product:
(2,4-Difluorophenoxy)acetic acid
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CAS No. 399-44-0
- Cat. No. CS-0206426
- Purity≥98%
- MDL No.MFCD03422203
*For research and further manufacturing use only, not for direct human use.
Structure of 399-44-0
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General Information
- CAS No. 399-44-0
- Cat. No. CS-0206426
- Purity ≥98%
- MDL No. MFCD03422203
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₆F₂O₃
- Molecular Weight 188.13
- Synonym(s) (2,4-Difluor-phenoxy)-essigsaeure
- SMILES C1=CC(=C(C=C1F)F)OCC(=O)O
Description
This difluorophenoxyacetic acid features a strategically positioned electron-withdrawing fluorine substitution pattern that enhances metabolic stability and lipophilicity. The ortho-fluoro groups influence conformational rigidity and improve binding affinity in bioactive scaffolds. Ideal for medicinal chemistry applications requiring enhanced membrane permeability and resistance to oxidative degradation.
Application
(2,4-Difluorophenoxy)acetic acid serves as a versatile building block in medicinal and agrochemical synthesis, enabling the construction of bioactive heterocycles and functionalized aromatic systems. Its difluorophenyl ether moiety provides enhanced metabolic stability and membrane permeability, while the carboxylic acid group facilitates straightforward derivatization via esterification, amide coupling, or salt formation. The compound exhibits excellent bench stability and is compatible with standard synthetic protocols, making it a reliable component in multi-step syntheses.
Synthesis
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Route1
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717-30-6 - ~%
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In-stock
399-44-0
References
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Deng, Xiaoyan; Liao, Guihong; Long, Qingwu; Gao, Yujiao; Peng, Hao; He, Hongwu Phosphorus, Sulfur and Silicon and the Related Elements, 2013 , vol. 188, # 6 p. 663 - 671
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Route2
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In-stock
367-25-9 - ~%
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In-stock
399-44-0
References
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Finger et al. Journal of the American Chemical Society, 1959 , vol. 81, p. 94,95, 97
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Route3
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In-stock
367-27-1 -
79-11-8 - ~%
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In-stock
399-44-0
References
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Finger et al. Journal of the American Chemical Society, 1959 , vol. 81, p. 94,95, 97
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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 46.53
- LogP 1.4282
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 3
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Key Words
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