Ukqdaskrrgrdkg-uhfffaoysa-

Base Information

• Chemical Name: Ukqdaskrrgrdkg-uhfffaoysa-
• CAS No.: 2484-99-3
• Molecular Formula: C13H9ClS
• Molecular Weight: 232.733
• DSSTox Substance ID: DTXSID601292660
• Mol file: 2484-99-3.mol

Synonyms:UKQDASKRRGRDKG-UHFFFAOYSA-;SCHEMBL10454001;DTXSID601292660;(4-Chlorophenyl)phenylmethanethione;2484-99-3;InChI=1/C13H9ClS/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H

Chemical Property of Ukqdaskrrgrdkg-uhfffaoysa-

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 232.0113492
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=S)C2=CC=C(C=C2)Cl

Technology Process of Ukqdaskrrgrdkg-uhfffaoysa-

There total 7 articles about Ukqdaskrrgrdkg-uhfffaoysa- 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: 60.0%

4-chlorobenzophenone (134-85-0) → 4-chloro-thiobenzophenone (2484-99-3)

Guidance literature:

With hydrogenchloride; hydrogen sulfide; In ethanol; at -5 - 10 ℃; for 24h;

DOI:10.1021/jo00150a015

Reference yield:

<(4-chlorophenyl)phenylmethylene>triphenylphosphorane (153785-60-5) → 4-chloro-thiobenzophenone (2484-99-3)

Guidance literature:

With sulfur; In toluene; at 75 ℃;

DOI:10.1021/ja00149a015

Reference yield:

4-chloro-benzoyl chloride (122-01-0) → 4-chloro-thiobenzophenone (2484-99-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / AlCl₃

2: 20 percent / P₂S₅ / xylene / Heating

With aluminium trichloride; tetraphosphorus decasulfide; In xylene;

DOI:10.1039/a806182c

upstream raw materials:

4-chlorobenzophenone

4-chlorodiphenymethyl p-toluenethiosulfonate

<(4-chlorophenyl)phenylmethylene>triphenylphosphorane

4-chloro-benzoyl chloride

Downstream raw materials:

(4-chlorophenyl)(phenyl)methanethiol

4-chlorophenyl(phenyl)methane

4-chlorobenzophenone

p-chlorothio-benzophenone S-oxide