CAS 106-54-7

4-Chlorobenzenethiol

Description:

4-Chlorobenzenethiol, also known as p-chlorothiophenol, is an organic compound characterized by the presence of a chlorobenzene ring substituted with a thiol group (-SH) at the para position relative to the chlorine atom. Its molecular formula is C6H5ClS, and it has a molecular weight of approximately 162.62 g/mol. This compound typically appears as a colorless to pale yellow liquid with a strong, unpleasant odor reminiscent of rotten eggs. It is moderately soluble in water but more soluble in organic solvents such as ethanol and ether. 4-Chlorobenzenethiol is known for its reactivity, particularly in nucleophilic substitution reactions, where the thiol group can participate in various chemical transformations. It is used in organic synthesis, as a reagent in the preparation of other chemical compounds, and in the production of certain pharmaceuticals and agrochemicals. However, it is important to handle this substance with care due to its potential toxicity and environmental impact.

Formula: C₆H₅ClS

InChI: InChI=1/C6H5ClS/c7-5-1-3-6(8)4-2-5/h1-4,8H/p-1

InChI key: InChIKey=VZXOZSQDJJNBRC-UHFFFAOYSA-N

SMILES: ClC1=CC=C(S)C=C1

Synonyms:

• 1-Chloro-4-mercaptobenzene
• 4-Chlorbenzolthiol
• 4-Chloro thiophenol
• 4-Chlorobenzenethiol
• 4-Chlorobenzenethiolate
• 4-Chlorophenylmercaptan
• 4-Chlorophenylthiol
• 4-Clorobencenotiol
• 4-Cyano-Acetophonene/4-CA
• 4-Mercaptophenyl chloride
• Benzenethiol, 4-chloro-
• Benzenethiol, p-chloro-
• Nsc 18714
• Nsc 229564
• P-Chlorthiophenol
• Phenyl mercaptan, p-chloro-
• Thiophenol, 4-Chloro-
• p-Chlorobenzenethiol
• p-Chlorophenylmercaptan
• p-Chlorophenylthiol
• p-Chlorothiophenol
• p-Chlorthiofenol
• p-Mercaptochlorobenzene
• 4-Chloro
• CHLOROTHIOPHENOL-4
• 4-CHLOROMERCAPTOBENZENE
• 4-chloro-benzenethio
• 4-Chlorothiophenol/4-Chlorobenzenethiol
• 4-CHLOROPHENYL MERCAPTAN
• p-chloro-benzenethio
• 4-CHLOROTHIOPHENOL
• AKOS BBS-00004252

4-Chlorobenzenethiol

CAS: 106-54-7

Formula: C₆H₅ClS

Purity: >98.0%(GC)(T)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 144.62

Ref: 3B-C0129

4-Chlorothiophenol, 97%

CAS: 106-54-7

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₆H₅ClS

Purity: 97%

Color and Shape: Powder or lumps or fused solid, White to pale cream

Molecular weight: 144.62

Ref: 02-B23838

4-Chlorothiophenol

CAS: 106-54-7

Formula: C₆H₅ClS

Purity: ≥ 98.0%

Color and Shape: White to off-white crystalline powder

Molecular weight: 144.62

Ref: 7W-GK4465

4-Chlorothiophenol

CAS: 106-54-7

4-Chlorothiophenol

Formula: C₆H₅ClS

Purity: 99%

Color and Shape: white fused solid

Molecular weight: 144.62g/mol

Ref: 54-OR54321

4-​Chlorothiophenol(4-Chlorobenzenethiol)

Controlled Product

CAS: 106-54-7

Applications 4-Chlorobenzenethiol is a reagent used in the synthesis of small-molecule inhibitors of the protein geranylgeranyltransferase Type I (GGTase-I), acting as anti-tumor agents. Also is used in the synthesis of β-sulfanyl carbonyl compounds via Michael addition.
References Ranu, B. et al.: Tetrahedron, 60, 4183 (2004); J. Med. Chem., 43, 2310 (2000);

Formula: C₆H₅ClS

Color and Shape: Neat

Molecular weight: 144.62

Ref: TR-C364595

4-Chlorothiophenol

CAS: 106-54-7

Formula: C₆H₅ClS

Purity: 97.0%

Color and Shape: Solid, Crystalline Powder or Lumps

Molecular weight: 144.62

Ref: 10-F005205

4-Chlorobenzenethiol

CAS: 106-54-7

4-Chlorobenzenethiol is a chemical compound that contains a fatty acid. It is an intramolecular hydrogen donor with the ability to form a disulfide bond. The compound also has high stability and can be used in organic synthesis reactions involving reactive sulfur groups. 4-Chlorobenzenethiol reacts with sodium carbonate to produce sodium thiocarbonate and chloroform, which are then reacted with phosphorus pentoxide for oxidation. The reaction mechanism is similar to that of the Diels-Alder reaction and the model system involves dinucleotide phosphate. 4-Chlorobenzenethiol can be reacted with hydrochloric acid or trifluoroacetic acid as an oxidizing agent.

Formula: C₆H₅ClS

Purity: Min. 95%

Color and Shape: White Powder

Molecular weight: 144.62 g/mol

Ref: 3D-FC34417