S-(4-chlorophenyl) 4-nitrobenzenecarbothioate

Base Information

Chemical Name:S-(4-chlorophenyl) 4-nitrobenzenecarbothioate
CAS No.:6631-86-3
Molecular Formula:C13H8ClNO3S
Molecular Weight:293.73
Hs Code.:
NSC Number:57940
DSSTox Substance ID:DTXSID10288872
Nikkaji Number:J1.161.075G
Wikidata:Q82025999
Mol file:6631-86-3.mol

Synonyms:S-(4-chlorophenyl) 4-nitrobenzenecarbothioate;6631-86-3;NSC57940;NCIOpen2_002370;DTXSID10288872;NSC-57940;STK796962;AKOS002163205

Suppliers and Price of S-(4-chlorophenyl) 4-nitrobenzenecarbothioate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of S-(4-chlorophenyl) 4-nitrobenzenecarbothioate

Chemical Property:

Vapor Pressure:5.53E-08mmHg at 25°C
Boiling Point:441.2°Cat760mmHg
Flash Point:220.7°C
PSA：88.19000
Density:1.46g/cm³
LogP:4.70390
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:292.9913420
Heavy Atom Count:19
Complexity:331

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Technology Process of S-(4-chlorophenyl) 4-nitrobenzenecarbothioate

There total 6 articles about S-(4-chlorophenyl) 4-nitrobenzenecarbothioate 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: 96.0%

: 122-04-3
4-nitro-benzoyl chloride

: 106-54-7
p-Chlorothiophenol

: 6631-86-3
S-(p-chlorophenyl) p-nitrothiobenzoate

Guidance literature:: With 1,1,1,3',3',3'-hexafluoro-propanol; In neat (no solvent); at 20 ℃; for 0.0166667h; Green chemistry;
DOI:10.1016/j.tetlet.2017.04.004

Reference yield: 93.0%

: 106-54-7
p-Chlorothiophenol

: 62-23-7
4-nitro-benzoic acid

: 6631-86-3
S-(p-chlorophenyl) p-nitrothiobenzoate

Guidance literature:: With Methanesulfonic anhydride; at 80 ℃; for 4h;
DOI:10.1007/s12039-020-01871-5

Reference yield: 92.0%

: 1142-19-4
4,4'-dichlorodiphenyl disulfide

: 122-04-3
4-nitro-benzoyl chloride

: 6631-86-3
S-(p-chlorophenyl) p-nitrothiobenzoate

Guidance literature:: 4,4'-dichlorodiphenyl disulfide; With hydrogenchloride; zinc; In water; acetone; at 20 ℃; Schlenk technique; Inert atmosphere; Green chemistry;

4-nitro-benzoyl chloride; In water; acetone; at 20 ℃; for 0.5h; Schlenk technique; Inert atmosphere; Green chemistry;
DOI:10.1007/s00706-020-02565-x