3-Chloro-2-fluorobenzenethiol

Name: 3-Chloro-2-fluorobenzenethiol
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CAS No. 1121585-29-2
Cat. No. CS-0188799
Molecule weightNone
Purity≥97%
MDL No.MFCD12026158

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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3-Chloro-2-fluorobenzenethiol|CS-0188799

Structure of 1121585-29-2

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General Information

CAS No. 1121585-29-2
Cat. No. CS-0188799
Purity ≥97%
MDL No. MFCD12026158
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄ClFS
Molecular Weight None
Synonym(s) 3-chloro-2-fluoro thiophenol
SMILES SC1=CC=CC(Cl)=C1F

Description

3-Chloro-2-fluorobenzenethiol offers a strategically positioned halogenated arylthiol scaffold for conjugate addition and cross-coupling processes. The ortho-fluoro and meta-chloro substituents modulate electronic density and steric profile, enhancing reactivity control in synthetic transformations. This bench-stable compound integrates readily into complex molecular architectures requiring site-specific functionalization.

Application

3-Chloro-2-fluorobenzenethiol serves as a valuable building block for pharmaceutical and agrochemical synthesis, enabling the introduction of ortho-heteroatom-substituted arylthiol motifs. Its reactivity profile supports palladium-catalyzed cross-coupling, nucleophilic substitution, and thiol-based conjugation strategies. The molecule exhibits bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic workflows requiring functional group tolerance and predictable regiochemistry.

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

Quality Control

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Computational Chemistry Data

TPSA 0
LogP 2.7678
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Mercaptan

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Chloro-2-fluorobenzenethiol

CAS No. 1121585-29-2

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