2-Chloro-4,5-difluorophenol

Name: 2-Chloro-4,5-difluorophenol
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CAS No. 2267-98-3
Cat. No. CS-0197596
Purity≥98%
MDL No.MFCD18415628

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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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Structure of 2267-98-3

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General Information

CAS No. 2267-98-3
Cat. No. CS-0197596
Purity ≥98%
MDL No. MFCD18415628
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃ClF₂O
Molecular Weight None
Synonym(s) 2-Chloro-4,5-difluoro-phenol
SMILES OC1=CC(F)=C(F)C=C1Cl

Description

2-Chloro-4,5-difluorophenol features a highly electron-deficient aromatic ring stabilized by two fluorine substituents and a chlorine atom at the ortho position. This combination enhances reactivity in nucleophilic substitution processes while maintaining bench-stability under standard conditions. The phenolic hydroxyl group enables direct coupling or derivatization in synthetic sequences.

Application

2-Chloro-4,5-difluorophenol serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated aromatic scaffolds. Its ortho-chloro and difluoro substitution pattern facilitates palladium-catalyzed cross-coupling reactions, including Suzuki-Miyaura and Stille couplings, with excellent functional group tolerance. The phenolic hydroxyl group supports direct derivatization via etherification or esterification, enhancing solubility and metabolic stability in API development. Bench-stable and readily purified by recrystallization, it functions as a key intermediate in the synthesis of bioactive heterocycles and advanced pharmaceutical intermediates.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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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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2-Chloro-4,5-difluorophenol

CAS No. 2267-98-3

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