4-Bromo-3-fluorothiophenol

Name: 4-Bromo-3-fluorothiophenol
Brand: ChemScene
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CAS No. 942473-86-1
Cat. No. CS-0045092
Purity≥95%
MDL No.MFCD09475476

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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. 942473-86-1
Cat. No. CS-0045092
Purity ≥95%
MDL No. MFCD09475476
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄BrFS
Molecular Weight 207.07
Synonym(s) 4-bromo-3-fluorobenzenethiol
SMILES SC1=CC=C(Br)C(F)=C1

Description

4-Bromo-3-fluorothiophenol features a thiophenol scaffold with complementary halogen substituents at the 4- and 3-positions, enabling selective cross-coupling and functionalization. The electron-deficient aromatic ring enhances reactivity in palladium-catalyzed transformations, while the thiol group provides a robust anchor for conjugation. This bifunctional architecture supports efficient integration into complex molecular frameworks under standard conditions.

Application

4-Bromo-3-fluorothiophenol serves as a valuable building block for the synthesis of functionalized thiophene derivatives. Its orthogonal halogen substituents enable selective cross-coupling reactions, while the thiol group facilitates direct conjugation or derivatization. The molecule exhibits bench stability and compatibility with standard purification methods, making it well-suited for applications in medicinal chemistry and materials science workflows.

Safety Information

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GHS Pictogram :	GHS No : GHS05,GHS07
Signal Word : Danger	UN#: 1759
Class : 8	Packing Group : Ⅲ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

TPSA 0
LogP 2.8769
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Mercaptan

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Bromo-3-fluorothiophenol

CAS No. 942473-86-1

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