1-[(Benzylsulfanyl)methyl]-4-nitrobenzene

Base Information

Chemical Name:1-[(Benzylsulfanyl)methyl]-4-nitrobenzene
CAS No.:3019-30-5
Molecular Formula:C14H13NO2S
Molecular Weight:259.3235
Hs Code.:
NSC Number:101359
DSSTox Substance ID:DTXSID10295349
Nikkaji Number:J1.820.147J
Wikidata:Q82035233
ChEMBL ID:CHEMBL4525856
Mol file:3019-30-5.mol

Synonyms:1-[(benzylsulfanyl)methyl]-4-nitrobenzene;3019-30-5;NSC 101359;NSC101359;1-(benzylsulfanylmethyl)-4-nitrobenzene;4-Nitrobenzylbenzyl sulfide;NCIOpen2_007021;CHEMBL4525856;DTXSID10295349;STL380986;AKOS000420352;NSC-101359;SR-01000278536;SR-01000278536-1

Suppliers and Price of 1-[(Benzylsulfanyl)methyl]-4-nitrobenzene

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 1-[(Benzylsulfanyl)methyl]-4-nitrobenzene

Chemical Property:

Vapor Pressure:1.51E-06mmHg at 25°C
Boiling Point:409.7°Cat760mmHg
Flash Point:201.6°C
Density:1.242g/cm³
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:259.06669983
Heavy Atom Count:18
Complexity:253

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CSCC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 1-[(Benzylsulfanyl)methyl]-4-nitrobenzene

There total 4 articles about 1-[(Benzylsulfanyl)methyl]-4-nitrobenzene 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: 82.0%

: 73318-12-4
benzyl-(4-nitro-benzyl)-sulfoxide

: 3019-30-5
benzyl-(4-nitro-benzyl)-sulfide

Guidance literature:: With phosphorus pentachloride; N,N-diethylaniline; In dichloromethane;
DOI:10.1055/s-1980-28960

Reference yield:

: 100-14-1
4-nitrobenzyl chloride

: 100-53-8
phenylmethanethiol

: 3019-30-5
benzyl-(4-nitro-benzyl)-sulfide

Guidance literature:: With ethanol; ammonia;

Reference yield:

: 100-39-0
benzyl bromide

: 3019-30-5
benzyl-(4-nitro-benzyl)-sulfide

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / CHCl₃ / 1 h / Heating

2: TBAB / benzene; aq. NaOH / 0.25 h / Ambient temperature

tetrabutylammomium bromide; In sodium hydroxide; chloroform; benzene;
DOI:10.1055/s-1987-28085