Benzene, [(1-fluoroethenyl)thio]-

Base Information

• Chemical Name: Benzene, [(1-fluoroethenyl)thio]-
• CAS No.: 141075-87-8
• Molecular Formula: C8H7FS
• Molecular Weight: 154.208
• DSSTox Substance ID: DTXSID50475087
• Nikkaji Number: J3.206.591K
• Wikidata: Q82305351
• Mol file: 141075-87-8.mol

Synonyms:Benzene, [(1-fluoroethenyl)thio]-;1-fluoroethenylsulfanylbenzene;141075-87-8;SCHEMBL776859;1-Fluoro-1-(phenylthio)ethene;DTXSID50475087

Chemical Property of Benzene, [(1-fluoroethenyl)thio]-

Chemical Property:

• Boiling Point: 202.9±36.0 °C(Predicted)
• PSA: 25.30000
• Density: 1.12±0.1 g/cm3(Predicted)
• LogP: 3.21940
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 154.02524956
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

[(1-Fluoroethenyl)thio]benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C(F)SC1=CC=CC=C1
• Uses: [(1-Fluoroethenyl)thio]benzene is an intermediate used in the synthesis of 13-Fluorodibenzo[a,i]pyrene (F588440), which is a polycyclic aromatic hydrocarbon (PAH) thus potentially exhibiting carcinogenic properties through activation of P450 mono-oxygenase enzymes. Also, it has unique electrical and optical properties due to being a conjugated macromolecule.

Technology Process of Benzene, [(1-fluoroethenyl)thio]-

There total 7 articles about Benzene, [(1-fluoroethenyl)thio]- 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: 93.0%

S-Phenyl benzenethiosulfonate (1212-08-4) + (α-Fluorovinyl)diphenylmethylsilane (257610-49-4) → α-fluorovinyl phenyl sulfide (141075-87-8)

Guidance literature:

With cesium fluoride; In N,N-dimethyl-formamide; at 80 ℃; for 12h;

DOI:10.1016/S0022-1139(02)00198-7

Reference yield: 30.0%

phenylthioacetylene (6228-98-4) → (1,1-difluoroethyl)(phenyl)sulfane + α-fluorovinyl phenyl sulfide (141075-87-8)

Guidance literature:

With pyridine; pyridine hydrofluoride; In dichloromethane; at 20 ℃; for 0.166667h; Temperature; regioselective reaction; Inert atmosphere;

DOI:10.1071/CH14298

Reference yield:

1,2-dibromo-1-fluoro-ethene (358-98-5) + thiophenol (108-98-5) → α-fluorovinyl phenyl sulfide (141075-87-8) + (Z)-α-fluoro-β-bromovinyl phenyl sulfide (129822-65-7) + (E)-α-fluoro-β-bromovinyl phenyl sulfide (129822-59-9) + diphenyldisulfane (882-33-7)

Guidance literature:

With sodium; In ethanol;

upstream raw materials:

1,2-dibromo-1-fluoro-ethene

thiophenol

S-Phenyl benzenethiosulfonate

(α-Fluorovinyl)diphenylmethylsilane

Downstream raw materials:

CF₃O₃S^(1-)*C₁₄H₁₂FS⁽¹⁺⁾

(1-fluorovinyl) phenyl sulfoxide

(1-fluoroethenyl)phenylsulfane dioxide

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 141075-87-8 Benzene, [(1-fluoroethenyl)thio]-

Send

Send

Metric Ton KG G Pound L ML

Send

Send