3-Chloro-4-fluorophenol

Name: 3-Chloro-4-fluorophenol
Brand: ChemScene
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CAS No. 2613-23-2
Cat. No. CS-W007874
Purity≥98%
MDL No.MFCD00002257

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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 2613-23-2

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General Information

CAS No. 2613-23-2
Cat. No. CS-W007874
Purity ≥98%
MDL No. MFCD00002257
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄ClFO
Molecular Weight 146.55
Synonym(s) Sulfur, pentafluoro(3-nitrophenyl)-
SMILES OC1=CC(Cl)=C(F)C=C1

Description

3-Chloro-4-fluorophenol features a fluorine atom at the para position relative to the hydroxyl group, enhancing electron withdrawal and metabolic stability. This configuration supports efficient coupling reactions in pharmaceutical intermediates and agrochemical synthesis under standard conditions.

Application

3-Chloro-4-fluorophenol serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient functionalization via electrophilic substitution or transition-metal-catalyzed coupling reactions. Its ortho-halogenated phenolic structure provides excellent regioselectivity for C–H activation and Suzuki-Miyaura couplings, while the hydroxyl group allows for direct derivatization or protection. Bench-stable and compatible with standard purification protocols, it functions as a key intermediate in constructing bioactive heterocycles and pharmaceutical scaffolds.

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 : H302-H315-H319-H335
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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Computational Chemistry Data

TPSA 20.23
LogP 2.1847
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

Key Words

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3-Chloro-4-fluorophenol

CAS No. 2613-23-2

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