25752-90-3

Basic information

• Product Name: 1-BROMO-4-(TERT-BUTYLSULFANYL)BENZENE
• Synonyms: 1-BROMO-4-(TERT-BUTYLSULFANYL)BENZENE;1-bromo-4-(tert-butylsulfanyl)benzene (en);(4-Bromophenyl)(t-butyl)sulfane;1-Bromo-4-t-butylthiobenzene;4-Bromophenyl t-butyl sulfide, S-t-butyl 4-bromothiophenol
• CAS NO: 25752-90-3
• Molecular Formula: C₁₀H₁₃BrS
• Molecular Weight: 245.18
• Mol File: 25752-90-3.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 279.9°Cat760mmHg
• Flash Point: 123.1°C
• Appearance: /
• Density: 1.33g/cm³
• Vapor Pressure: 0.00665mmHg at 25°C
• Refractive Index: 1.58
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1-BROMO-4-(TERT-BUTYLSULFANYL)BENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-BROMO-4-(TERT-BUTYLSULFANYL)BENZENE(25752-90-3)
• EPA Substance Registry System: 1-BROMO-4-(TERT-BUTYLSULFANYL)BENZENE(25752-90-3)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 25752-90-3(Hazardous Substances Data)

Usage

General Description

1-Bromo-4-(tert-butylsulfanyl)benzene is an organic compound with the chemical formula C10H13BrS. It is commonly used as a building block for the synthesis of various organic compounds and pharmaceuticals. 1-BROMO-4-(TERT-BUTYLSULFANYL)BENZENE is a derivative of benzene with a bromine atom and a tert-butylsulfanyl group attached at different positions. It is a colorless liquid with a molecular weight of 241.18 g/mol. 1-Bromo-4-(tert-butylsulfanyl)benzene is known for its strong chemical reactivity, making it an important intermediate in the production of various organic compounds and materials. It is also used in research and development for the synthesis of complex organic molecules.

InChI:InChI=1/C10H13BrS/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3

Upstream product

• 106-53-6 para-bromobenzenethiol 
• 115-11-7 isobutene 
• 106-37-6 1.4-dibromobenzene 
• 507-20-0 tertiary butyl chloride 
• 75-65-0 tert-butyl alcohol 

Downstream Products

• 25752-66-3 1-bromo-4-(tert-butylsulfonyl)benzene 
• 60852-04-2 4-t-Butoxyophenyl-t-butylsulfid 
• 88357-16-8 4-(1,1-dimethylethylthio)benzaldehyde 
• 28122-76-1 acetyl 4-bromo-thiophenolate 
• 795274-48-5 1-tert-butylsulfanyl-4-(2'-triisopropylsilylethynyl)-benzene 
• 756899-88-4 2-(4-tert-butylsulfanylphenyl)thiophene 
• 864364-29-4 4,4'-bis(tert-butylthio)benzophenone 
• 882880-08-2 1,4-bis(4-(tert-butylthio)phenylethynyl)-2,5-bis[{4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene}methyl]benzene 
• 500530-77-8 (E,E)-1,4-bis[4-(tert-butylsulfanyl)styryl]benzene 
• 894351-56-5 2,6-bis((4-(tert-butylthio)phenyl)ethynyl)anthracene-9,10-dione 
• 894351-58-7 2,6-bis[(4-tert-butylthiophenyl)ethynyl]-9,10-diacetoxyanthracene 
• 135883-45-3 1-(tert-butylsulfanyl)-4-ethynylbenzene 
• 874486-66-5 1,4-bis(4-tert-butylthiophenylethynyl)benzene 
• 23939-49-3 S-(4-vinylphenyl) thioacetate 

Relevant articles and documents

Substitution Pattern Controlled Quantum Interference in [2.2]Paracyclophane-Based Single-Molecule Junctions

Quantum interference (QI) of electron waves passing through a single-molecule junction provides a powerful means to influence its electrical properties. Here, we investigate the correlation between substitution pattern, conductance, and mechanosensitivity in [2.2]paracyclophane (PCP)-based molecular wires in a mechanically controlled break junction experiment. The effect of the meta versus para connectivity in both the central PCP core and the phenyl ring connecting the terminal anchoring group is studied. We find that the meta-phenyl-anchored PCP yields such low conductance levels that molecular features cannot be resolved; in the case of para-phenyl-coupled anchoring, however, large variations in conductance values for modulations of the electrode separation occur for the pseudo-para-coupled PCP core, while this mechanosensitivity is absent for the pseudo-meta-PCP core. The experimental findings are interpreted in terms of QI effects between molecular frontier orbitals by theoretical calculations based on density functional theory and the Landauer formalism.

Structural effects on the C-S bond cleavage in aryl tert -butyl sulfoxide radical cations

The oxidation of a series of aryl tert-butyl sulfoxides (4-X-C 6H4SOC(CH3)3: 1, X = OCH 3; 2, X = CH3; 3, X = H; 4, X = Br) photosensitized by 3-cyano-N-methylquinolinium perchlorate (3-CN-NMQ+) has been investigated by steady-state irradiation and nanosecond laser flash photolysis (LFP) under nitrogen in MeCN. Products deriving from the C-S bond cleavage in the radical cations 1+?-4+? have been observed in the steady-state photolysis experiments. By laser irradiation, the formation of 3-CN-NMQ? (λmax = 390 nm) and 1 +?-4+? (λmax = 500-620 nm) was observed. A first-order decay of the sulfoxide radical cations, attributable to C-S bond cleavage, was observed with fragmentation rate constants (k f) that decrease by increasing the electron donating power of the arylsulfinyl substituent from 1.8 × 106 s-1 (4 +?) to 2.3 × 105 s-1 (1 +?). DFT calculations showed that a significant fraction of the charge is delocalized in the tert-butyl group of the radical cations, thus explaining the small substituent effect on the C-S bond cleavage rate constants. Via application of the Marcus equation to the kinetic data, a very large value for the reorganization energy (λ = 62 kcal mol-1) has been calculated for the C-S bond scission reaction in 1+?-4 +?.

Ferrocenyl compounds possessing protected phenol and thiophenol groups: Synthesis, X-ray structure, and in vitro biological effects against breast cancer

We have previously shown that conjugated ferrocenyl p-phenols show strong cytotoxic effects against both the hormone-dependent MCF-7 and hormone-independent MDA-MB-231 breast cancer cell lines, possibly via metabolic quinone methide (QM) formation. To fur