1-Bromo-4-(tert-butylsulfanyl)benzene

Base Information

• Chemical Name: 1-Bromo-4-(tert-butylsulfanyl)benzene
• CAS No.: 25752-90-3
• Molecular Formula: C10H13 Br S
• Molecular Weight: 245.183
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10377235
• Nikkaji Number: J1.889.737G
• Wikidata: Q82166380
• Mol file: 25752-90-3.mol

Synonyms:1-bromo-4-(tert-butylsulfanyl)benzene;25752-90-3;1-Bromo-4-t-butylthiobenzene;1-bromo-4-tert-butylsulfanylbenzene;(4-Bromophenyl)(tert-butyl)sulfane;4-tert-butylthio-bromobenzene;SCHEMBL4411163;4-Bromophenyl tert-butyl sulfide;DTXSID10377235;1-Bromo-4-tert-butyl thiobenzene;WHWRWEGAKBALHO-UHFFFAOYSA-N;MFCD04973729;AKOS005070613;CS-0154650;FT-0680410;D94953;4X-0722;Benzene, 1-bromo-4-[(1,1-dimethylethyl)thio]-;J-501374

Chemical Property of 1-Bromo-4-(tert-butylsulfanyl)benzene

Chemical Property:

• Vapor Pressure: 0.00665mmHg at 25°C
• Boiling Point: 279.9°Cat760mmHg
• Flash Point: 123.1°C
• PSA: 25.30000
• Density: 1.33g/cm³
• LogP: 4.33970
• Storage Temp.: 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 243.99213
• Heavy Atom Count: 12
• Complexity: 131

Purity/Quality:

98%Min ^*data from raw suppliers

1-Bromo-4-t-butylthiobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)SC1=CC=C(C=C1)Br

Technology Process of 1-Bromo-4-(tert-butylsulfanyl)benzene

There total 6 articles about 1-Bromo-4-(tert-butylsulfanyl)benzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

tertiary butyl chloride (507-20-0) + para-bromobenzenethiol (106-53-6) → tert-butyl 4-bromophenyl sulfide (25752-90-3)

Guidance literature:

With aluminium trichloride; at 20 ℃; for 1h;

DOI:10.1002/hc.10224

Reference yield: 82.0%

para-bromobenzenethiol (106-53-6) + tert-butyl alcohol (75-65-0) → tert-butyl 4-bromophenyl sulfide (25752-90-3)

Guidance literature:

With perchloric acid; acetic anhydride; In acetic acid; for 3h; cooling;

DOI:10.1055/s-2004-831163

Reference yield:

1.4-dibromobenzene (106-37-6) → tert-butyl 4-bromophenyl sulfide (25752-90-3)

Guidance literature:

With pyridine; quinoline; at 200 ℃;

DOI:10.1021/ja01527a042

upstream raw materials:

para-bromobenzenethiol

isobutene

1.4-dibromobenzene

tertiary butyl chloride

Downstream raw materials:

1-bromo-4-(tert-butylsulfonyl)benzene

4-t-Butoxyophenyl-t-butylsulfid

4-(1,1-dimethylethylthio)benzaldehyde

acetyl 4-bromo-thiophenolate