4-Chloro-2,6-difluorophenol

Name: 4-Chloro-2,6-difluorophenol
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CAS No. 164790-68-5
Cat. No. CS-0098755
Purity≥97%
MDL No.MFCD06660242

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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General Information

CAS No. 164790-68-5
Cat. No. CS-0098755
Purity ≥97%
MDL No. MFCD06660242
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃ClF₂O
Molecular Weight 164.54
Synonym(s) 3,5-Difluoro-4-hydroxychlorobenzene
SMILES OC1=C(C=C(C=C1F)Cl)F

Description

4-Chloro-2,6-difluorophenol features a trifunctional aromatic core with orthogonal electron-withdrawing substituents, enabling selective coupling in late-stage functionalization. The ortho-fluorine atoms enhance metabolic stability while the phenolic hydroxyl facilitates derivatization under mild conditions. This bench-stable scaffold integrates efficiently into bioactive molecule design.

Application

4-Chloro-2,6-difluorophenol serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated aromatic scaffolds. Its ortho-fluoro substituents facilitate nucleophilic aromatic substitution, while the phenolic hydroxyl group supports direct coupling and derivatization. The compound exhibits good bench stability and compatibility with standard reaction conditions, making it well-suited for iterative synthesis workflows in API development.

Safety Information

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GHS Pictogram :	GHS No : GHS05,GHS06,GHS09
Signal Word : Danger	UN#: 3261
Class : 8	Packing Group : Ⅲ
Hazard Statements : H301-H311-H314-H318-H332
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

TPSA 20.23
LogP 2.3238
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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4-Chloro-2,6-difluorophenol

CAS No. 164790-68-5

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