3,4-Dichlorothiophene

Base Information

• Chemical Name: 3,4-Dichlorothiophene
• CAS No.: 17249-76-2
• Molecular Formula: C4H2 Cl2 S
• Molecular Weight: 153.032
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40169322
• Nikkaji Number: J82.599I
• Wikidata: Q83038984
• Mol file: 17249-76-2.mol

Synonyms:3,4-dichlorothiophene;17249-76-2;Thiophene, 3,4-dichloro-;3,4-dichloro-thiophene;SCHEMBL319580;DTXSID40169322;AKOS000282045;AT29555;FT-0733189;EN300-197549;Z1198181374

Chemical Property of 3,4-Dichlorothiophene

Chemical Property:

• Vapor Pressure: 0.976mmHg at 25°C
• Melting Point: 1°C
• Refractive Index: 1.5821
• Boiling Point: 185°Cat760mmHg
• Flash Point: 77.2°C
• PSA: 28.24000
• Density: 1.488g/cm³
• LogP: 3.05490
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 151.9254266
• Heavy Atom Count: 7
• Complexity: 58.7

Purity/Quality:

99% ^*data from raw suppliers

3,4-dichlorothiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CS1)Cl)Cl
• Uses: 3,4-dichlorothiophene is a useful research chemical.

Technology Process of 3,4-Dichlorothiophene

There total 10 articles about 3,4-Dichlorothiophene 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: 94.0%

3,4-dibromothiophene (3141-26-2) → 3,4-dichlorothiophene (17249-76-2)

Guidance literature:

With copper(l) chloride; In N,N-dimethyl-formamide; for 24h; Reflux; Inert atmosphere;

DOI:10.1039/d0ta00159g

Reference yield: 8.0%

2,3,4-trichlorothiophene (17249-78-4) → 3,4-dichlorothiophene (17249-76-2)

Guidance literature:

With hydrogenchloride; tert.-butyl lithium;

DOI:10.1007/BF00798328

Reference yield:

ethanol (64-17-5) + 2,3,4,5-tetrachloro-tetrahydro-thiophene (64048-11-9) → 3,4-dichlorothiophene (17249-76-2) + 2,4-dichlorothiophene (17249-75-1) + 2,5-diclorothiophene (3172-52-9,173777-89-4)

Guidance literature:

optically inactive stereoisomer(ic) of mp: 113 degree;

DOI:10.1021/ja01183a083

upstream raw materials:

thiophene

3,4-dichloro-2,5-thiophenedicarboxylic acid

2,3,4,5-tetrachloro-tetrahydro-thiophene

2,4-dichlorothiophene

Downstream raw materials:

2,3-dichloro-1,4-naphthoquinone