1,2-Dichloro-4-benzenethiol

Name: 1,2-Dichloro-4-benzenethiol
Brand: ChemScene
Availability: InStock
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CAS No. 5858-17-3
Cat. No. CS-0187805
Purity≥95%
MDL No.MFCD00004840

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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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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Structure of 5858-17-3

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Description

1,2-Dichloro-4-benzenethiol features a benzene ring bearing two adjacent chlorine atoms and a thiol group at the para position, delivering a highly reactive site for nucleophilic substitution. This arrangement enables direct incorporation into sulfur-containing architectures with minimal purification needs. The molecule exhibits enhanced stability under standard handling conditions while maintaining high reactivity toward soft nucleophiles.

Application

1,2-Dichloro-4-benzenethiol serves as a versatile building block in synthetic organic chemistry, enabling the construction of functionalized aromatic scaffolds through nucleophilic substitution and metal-catalyzed coupling reactions. The ortho-dichloro pattern provides regioselective reactivity, while the thiol group facilitates conjugation with transition metals and enables orthogonal protection strategies. Its bench-stable nature and compatibility with diverse reaction conditions make it a practical choice for medicinal chemistry and materials synthesis workflows.

General Information

CAS No. 5858-17-3
Cat. No. CS-0187805
Purity ≥95%
MDL No. MFCD00004840
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄Cl₂S
Molecular Weight 179.07
Synonym(s) 3,4-Dichlorothiophenol
SMILES C1=CC(=C(C=C1S)Cl)Cl

Computational Chemistry Data

TPSA 0
LogP 3.2821
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P405-P501

Quality Control

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Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1,2-Dichloro-4-benzenethiol

CAS No. 5858-17-3

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