3-Bromo-5-chlorobenzo[b]thiophene

Base Information

• Chemical Name: 3-Bromo-5-chlorobenzo[b]thiophene
• CAS No.: 32969-26-9
• Molecular Formula: C8H4BrClS
• Molecular Weight: 247.53900
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40557866
• Wikidata: Q82439919
• Mol file: 32969-26-9.mol

Synonyms:3-Bromo-5-chlorobenzo[b]thiophene;32969-26-9;3-BROMO-5-CHLORO-1-BENZOTHIOPHENE;3-bromo-5-chlorobenzothiophene;SCHEMBL3682441;DTXSID40557866;VHNKCGJYSJENJZ-UHFFFAOYSA-N;3-bromo-5-chloro-benzo[b]thiophene;MFCD14706728;AKOS016002169;MB14444;AS-61235;CS-0216415;D93451;EN300-4263562;Z1269194561

Chemical Property of 3-Bromo-5-chlorobenzo[b]thiophene

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• PSA: 28.24000
• LogP: 4.31720
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 245.89056
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

98%min ^*data from raw suppliers

3-Bromo-5-chlorobenzo[b]thiophene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Cl)C(=CS2)Br

Technology Process of 3-Bromo-5-chlorobenzo[b]thiophene

There total 4 articles about 3-Bromo-5-chlorobenzo[b]thiophene 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: 99.0%

5-chlorobenzothiophene (20532-33-6) → 3-bromo-5-chlorobenzo[b]thiophene (32969-26-9)

Guidance literature:

5-chlorobenzothiophene; With bromine; sodium acetate; In dichloromethane; at 0 ℃; for 0.0833333h;

With PPA; In dichloromethane; chlorobenzene; for 0.0833333h; Heating / reflux;

Reference yield:

p-Chlorothiophenol (106-54-7) → 3-bromo-5-chlorobenzo[b]thiophene (32969-26-9)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / N,N-dimethyl-formamide / 0 °C

2: polyacrylic acid / chlorobenzene

3: bromine; sodium acetate / dichloromethane / 0.08 h / 0 °C

With bromine; sodium acetate; potassium carbonate; In dichloromethane; N,N-dimethyl-formamide; chlorobenzene;

Reference yield:

(4-chlorophenyl)(2,2-diethoxyethyl)sulfane (50548-46-4) → 3-bromo-5-chlorobenzo[b]thiophene (32969-26-9)

Guidance literature:

Multi-step reaction with 2 steps

1: polyacrylic acid / chlorobenzene

2: bromine; sodium acetate / dichloromethane / 0.08 h / 0 °C

With bromine; sodium acetate; In dichloromethane; chlorobenzene;

upstream raw materials:

5-chlorobenzothiophene

p-Chlorothiophenol

(4-chlorophenyl)(2,2-diethoxyethyl)sulfane

Downstream raw materials:

(5-Chloro-2-nitro-benzo[b]thiophen-3-yl)-(2-pyrrolidin-1-yl-ethyl)-amine

(5-Chloro-2-nitro-benzo[b]thiophen-3-yl)-(4-fluoro-phenyl)-amine

(5-Chloro-2-nitro-benzo[b]thiophen-3-yl)-(4-chloro-phenyl)-amine

(5-Chloro-2-nitro-benzo[b]thiophen-3-yl)-(2-morpholin-4-yl-ethyl)-amine