3-Chloro-6-fluorobenzo[b]thiophene-2-carbonyl chloride

Base Information

• Chemical Name: 3-Chloro-6-fluorobenzo[b]thiophene-2-carbonyl chloride
• CAS No.: 34576-83-5
• Molecular Formula: C9H3 Cl2 F O S
• Molecular Weight: 249.093
• Hs Code.: 29349990
• European Community (EC) Number: 640-694-8
• DSSTox Substance ID: DTXSID90382483
• Wikidata: Q72450607
• Mol file: 34576-83-5.mol

Synonyms:34576-83-5;3-Chloro-6-fluorobenzo[b]thiophene-2-carbonyl chloride;3-chloro-6-fluoro-1-benzothiophene-2-carbonyl chloride;3-chloro-6-fluorobenzo[b]thiophene-2-carbonylchloride;3-chloro-6-fluorobenzothiophene-2-carbonyl chloride;C9H3Cl2FOS;SCHEMBL2279755;DTXSID90382483;IUDFNLIAWHEYEZ-UHFFFAOYSA-N;BBL014965;MFCD02090808;STL197374;AKOS000281280;FS-4373;FT-0684364;EN300-20559;A822288;J-019655;3-Chloro-6-fluorobenzo[b]thiophene-2-carbonyl chloride, 97%

Chemical Property of 3-Chloro-6-fluorobenzo[b]thiophene-2-carbonyl chloride

Chemical Property:

• Vapor Pressure: 6.06E-05mmHg at 25°C
• Melting Point: 108-112 °C(lit.)
• Boiling Point: 345.7°Cat760mmHg
• Flash Point: 162.9°C
• PSA: 45.31000
• Density: 1.6g/cm³
• LogP: 4.07280
• Sensitive.: Moisture Sensitive
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 247.9265694
• Heavy Atom Count: 14
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-6-fluorobenzo[b]thiophene-2-carbonyl chloride 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 22-24/25-45-36/37/39-26-20

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1F)SC(=C2Cl)C(=O)Cl

Technology Process of 3-Chloro-6-fluorobenzo[b]thiophene-2-carbonyl chloride

There total 4 articles about 3-Chloro-6-fluorobenzo[b]thiophene-2-carbonyl chloride 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: 78.5%

(Z)-3-(4-fluorophenyl)acrylic acid (14290-66-5) → 3-Chlor-6-fluor-benzo-thiophen-2-carbonsaeurechlorid (34576-83-5)

Guidance literature:

With pyridine; thionyl chloride; at 140 ℃; for 0.5h;

Reference yield: 33.0%

(E)-4-fluorocinnamic acid (459-32-5) → 3-Chlor-6-fluor-benzo-thiophen-2-carbonsaeurechlorid (34576-83-5)

Guidance literature:

With pyridine; thionyl chloride; In chlorobenzene;

Reference yield:

4-fluorocinnamic acid (459-32-5,14290-66-5,14290-86-9) → 3-Chlor-6-fluor-benzo-thiophen-2-carbonsaeurechlorid (34576-83-5)

Guidance literature:

With pyridine; thionyl chloride; at 135 ℃; for 0.5h;

upstream raw materials:

(E)-4-fluorocinnamic acid

(Z)-3-(4-fluorophenyl)acrylic acid

4-fluorocinnamic acid

Downstream raw materials:

5-(4-phenoxyphenyl)-5-(4-(3-chloro-6-fluorobenzo[b]thiophene-2-carbonyl)-1,4-diazepan-1-yl)pyrimidine-2,4,6-(1H,3H,5H)-trione

C₃₁H₃₁ClFN₃O₃S

C₂₇H₂₇ClFN₃O₃S

C₂₈H₃₁ClFN₃O₄S