2-Bromo-5-chloro-3-fluorophenol

Name: 2-Bromo-5-chloro-3-fluorophenol
Brand: ChemScene
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CAS No. 1805479-11-1
Cat. No. CS-0161318
Purity≥98%
MDL No.MFCD28734032

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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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2-Bromo-5-chloro-3-fluorophenol|CS-0161318

Structure of 1805479-11-1

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General Information

CAS No. 1805479-11-1
Cat. No. CS-0161318
Purity ≥98%
MDL No. MFCD28734032
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃BrClFO
Molecular Weight None
Synonym(s) None
SMILES OC1=CC(Cl)=CC(F)=C1Br

Description

2-Bromo-5-chloro-3-fluorophenol features a trifluorinated aromatic core with strategically positioned halogens enabling precise functionalization in pharmaceutical intermediates. This electron-deficient phenol integrates readily into coupling reactions, offering enhanced reactivity under standard conditions. The ortho-bromo and meta-chloro substituents provide complementary handles for diversification, while the phenolic OH group supports direct derivatization.

Application

2-Bromo-5-chloro-3-fluorophenol serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling regioselective functionalization via palladium-catalyzed cross-coupling reactions. Its ortho-halogenated framework provides enhanced reactivity for Suzuki, Stille, and Negishi couplings, while the phenolic hydroxyl group offers a handle for derivatization. Bench-stable and readily purified by recrystallization, it functions as a key intermediate in the construction of complex heterocyclic scaffolds and bioactive molecules.

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 20.23
LogP 2.9472
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Chloride

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Bromo-5-chloro-3-fluorophenol

CAS No. 1805479-11-1

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