19552-10-4

Basic information

• Product Name: 4-BROMOBENZYL MERCAPTAN
• Synonyms: (4-Bromophenyl)methanethiol, 4-Bromo-α-toluenethiol;4-Bromo-α-toluenethiol;4-Bromobenzyl mercap;4- broMinebenzyl Mercaptan;4-BROMOBENZYL MERCAPTAN;4-Bromobenzylmercaptane;(4-bromophenyl)methanethiol
• CAS NO: 19552-10-4
• Molecular Formula: C₇H₇BrS
• Molecular Weight: 203.1
• Product Categories: Phenol&Thiophenol&Mercaptan
• Mol File: 19552-10-4.mol
• Article Data: 16

Chemical Properties

• Melting Point: 27-31 °C(lit.)
• Boiling Point: 264.662 °C at 760 mmHg
• Flash Point: >230 °F
• Appearance: /
• Density: 1.494 g/cm³
• Vapor Pressure: 0.0157mmHg at 25°C
• Refractive Index: 1.6170
• PKA: 9.32±0.10(Predicted)
• Sensitive: Air Sensitive
• CAS DataBase Reference: 4-BROMOBENZYL MERCAPTAN(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BROMOBENZYL MERCAPTAN(19552-10-4)
• EPA Substance Registry System: 4-BROMOBENZYL MERCAPTAN(19552-10-4)

Safety Data

• Safety Statements: 22-24/25
• RIDADR: UN2811
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 19552-10-4(Hazardous Substances Data)

Usage

Uses

4-Bromobenzyl mercaptan may be used to synthesize 4-bromotoluene via desulfurization with molybdenum hexacarbonyl [Mo(CO)6] in tetrahydrofuran.

InChI:InChI=1/C7H7BrS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

Upstream product

• 17356-08-0 thiourea 
• 589-15-1 1-bromomethyl-4-bromobenzene 
• 1122-91-4 4-bromo-benzaldehyde 
• 1892-20-2 4-bromobenzyl carbamate 
• 589-17-3 p-bromobenzyl chloride 
• 237763-11-0 methanesulfonic acid 4-bromo-benzyl ester 
• 351003-15-1 thioacetic acid S-(4-bromo-benzyl)ester 
• 873-75-6 4-bromobenzenemethanol 
• 111039-41-9 4-bromobenzyl carbamimidothioate monohydrobromide 
• 108-24-7 acetic anhydride 
• 131887-59-7 [(4-Bromo-benzylsulfanyl)-dimethylamino-methylene]-dimethyl-ammonium; iodide 
• 46123-94-8 S-(4-bromo-benzyl)-isothiourea 

Downstream Products

• 106-38-7 para-bromotoluene 
• 433289-55-5 cis-N-Boc-4-(4-bromobenzyl thio)-L-proline 
• 796739-73-6 3-(4-bromophenylmethylsulfanyl)-2,2-dimethylpropanoic acid methyl ester 
• 935760-75-1 5-({[(4-bromophenyl)methyl]thio}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one 
• 1039752-94-7 4-[(4-bromobenzyl)thio]-7-(β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine 
• 1174738-54-5 4-(4-bromobenzylsulfanyl)pyridine-2-carboxylic acid 
• 17742-50-6 2-(4-bromobenzylthio)acetic acid 
• 80813-35-0 5-(4-bromobenzylthiomethyl)-6-ethoxycarbonyluracil 
• 63875-87-6 p-Brombenzyl-2-hydroxyethyldisulfid 
• 1394951-62-2 C₁₁H₁₀BrNO₂S 

Relevant articles and documents

SULFUR EXTRUSION FROM DISULFIDES BY CARBENES

The present invention relates to a method for preparing a compound T having a thioether group from a compound D having a disulfide group in the presence of a carbene.

Nonenzymatic Dynamic Kinetic Resolution of in situ Generated Hemithioacetals: Access to 1,3-Disubstituted Phthalans

The first nonenzymatic DKR reaction of hemithioacetals is developed. Hemithioacetals were formed in situ via thiol addition and subsequently underwent an intramolecular oxa-Michael reaction. The scope of the reaction was quite broad ranging from aliphatic to aromatic substituents and 1,3-disubstituted-1,3-dihyroisobenzofuran products were obtained in good yields with moderate diastereoselectivities and high enantioselectivities. (Figure presented.).

Preparation and in-vitro evaluation of 4-benzylsulfanylpyridine-2- carbohydrazides as potential antituberculosis agents

A set of 4-benzylsulfanylpyridine-2-carbohydrazides was synthesized and evaluated for in vitro antimycobacterial activity against Mycobacterium tuberculosis, non-tuberculous mycobacteria, and multidrug-resistant M. tuberculosis. The activities expressed as the minimum inhibitory concentration (MIC) fall into a range of 2 to 125 μmol/L, most often 4 to 32 μmol/L. The results revealed that the substituents on the benzyl moiety do not influence the antimycobacterial efficacy. The substances exhibited similar activities against sensitive and resistant strains of M. tuberculosis. Furthermore, compounds show low antiproliferative effect and cytotoxicity.