1,3-Dibromo-5-(methylthio)benzene

Base Information

• Chemical Name: 1,3-Dibromo-5-(methylthio)benzene
• CAS No.: 141938-37-6
• Molecular Formula: C7H6Br2S
• Molecular Weight: 281.999
• DSSTox Substance ID: DTXSID90597358
• Nikkaji Number: J2.136.376F
• Wikidata: Q82492894
• Mol file: 141938-37-6.mol

Synonyms:1,3-dibromo-5-(methylthio)benzene;141938-37-6;Benzene, 1,3-dibromo-5-(methylthio)-;(3,5-dibromophenyl)(methyl)sulfane;1,3-Dibromo-5-methylsulfanylbenzene;1,3-Dibromo-5-(methylsulfanyl)benzene;3,5-DIBROMOTHIOANISOLE;SCHEMBL1203661;DTXSID90597358;OFAQYBZJADFVPV-UHFFFAOYSA-N;MFCD22488913;AKOS032958256;CS-0194829;E92300

Chemical Property of 1,3-Dibromo-5-(methylthio)benzene

Chemical Property:

• Boiling Point: 282.4±30.0 °C(Predicted)
• PSA: 25.30000
• Density: 1.92±0.1 g/cm3(Predicted)
• LogP: 3.93350
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 281.85365
• Heavy Atom Count: 10
• Complexity: 97.8

Purity/Quality:

99.90% ^*data from raw suppliers

1,3-Dibromo-5-methylsulfanylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC(=CC(=C1)Br)Br

Technology Process of 1,3-Dibromo-5-(methylthio)benzene

There total 2 articles about 1,3-Dibromo-5-(methylthio)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: 92.0%

1,3-dibromo-5-fluorobenzene (1435-51-4) + sodium thiomethoxide (5188-07-8) → (3,5-dibromophenyl)(methyl)sulfane (141938-37-6)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 108h;

DOI:10.1016/S0040-4039(98)01327-6

Reference yield: 83.0%

1,3,5-trisbromobenzene (626-39-1) + sodium thiomethoxide (5188-07-8) → (3,5-dibromophenyl)(methyl)sulfane (141938-37-6)

Guidance literature:

In N,N-dimethyl-formamide; at 70 ℃; for 18.5h;

DOI:10.1016/S0040-4039(98)01327-6

Reference yield: 74.0%

(3,5-dibromophenyl)(methyl)sulfane (141938-37-6) + 3,5-Bis-p-tolylsulfanyl-benzenethiol (213135-33-2) → C47H40S7 (213135-34-3)

Guidance literature:

With copper(I) oxide; In pyridine; quinoline; at 150 ℃; for 60.5h;

DOI:10.1016/S0040-4039(98)01327-6

upstream raw materials:

1,3,5-trisbromobenzene

sodium thiomethoxide

1,3-dibromo-5-fluorobenzene

Downstream raw materials:

1,3-Bis-(4-isopropoxy-phenylsulfanyl)-5-methylsulfanyl-benzene

1-Methylsulfanyl-3,5-bis-p-tolylsulfanyl-benzene

C₄₇H₄₀S₇

3,5-Bis-p-tolylsulfanyl-benzenethiol

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