4-(Methylsulfonyl)aniline

Base Information

Chemical Name:4-(Methylsulfonyl)aniline
CAS No.:5470-49-5
Molecular Formula:C7H9NO2S
Molecular Weight:171.22
Hs Code.:2921420090
European Community (EC) Number:226-803-8
NSC Number:229035,27552
UNII:UZ65E6P9TF
DSSTox Substance ID:DTXSID50203165
Nikkaji Number:J210.549G
Wikidata:Q72490736
ChEMBL ID:CHEMBL1329603
Mol file:5470-49-5.mol

Synonyms:4-(methylsulfonyl)aniline

Suppliers and Price of 4-(Methylsulfonyl)aniline

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

TRC
4-(Methylsulfonyl)aniline
5g
$ 70.00

TRC
4-(Methylsulfonyl)aniline
1g
$ 50.00

TCI Chemical
4-(Methylsulfonyl)aniline >98.0%(GC)(T)
25g
$ 29.00

TCI Chemical
4-(Methylsulfonyl)aniline >98.0%(GC)(T)
100g
$ 116.00

SynQuest Laboratories
4-(Methylsulfonyl)aniline
100 g
$ 53.00

SynQuest Laboratories
4-(Methylsulfonyl)aniline
25 g
$ 16.00

Matrix Scientific
4-Methylsulfonylaniline 97%
100g
$ 47.00

Matrix Scientific
4-Methylsulfonylaniline 97%
25g
$ 12.00

Crysdot
4-(Methylsulfonyl)aniline 97%
1000g
$ 297.00

Apolloscientific
4-(Methylsulphonyl)aniline
100g
$ 48.00

Total 61 raw suppliers

Chemical Property of 4-(Methylsulfonyl)aniline

Chemical Property:

Appearance/Colour:off-white crystals
Melting Point:243-245°C
Boiling Point:384.3 °C at 760 mmHg
PKA:pK1:1.48(+1) (25°C)
Flash Point:186.2 °C
PSA：68.54000
Density:1.282 g/cm³
LogP:2.33430
Storage Temp.:Keep in dark place,Sealed in dry,Room Temperature
Sensitive.:Light Sensitive
Solubility.:Chloroform (Slightly, Sonicated), Ethyl Acetate (Slightly, Sonicated)
Water Solubility.:Soluble in water.
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:171.03539970
Heavy Atom Count:11
Complexity:209

Purity/Quality:

99%, ^*data from raw suppliers

4-(Methylsulfonyl)aniline ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi,Xn
Statements: 36/37/38-22
Safety Statements: 22-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CS(=O)(=O)C1=CC=C(C=C1)N
Uses It is used as pharmaceutical intermediate. A series of 4-(methylsulfonyl)aniline derivatives were synthesized in order to obtain new compounds as a potential anti-inflammatory agents with expected selectivity against COX-2 enzyme.

Technology Process of 4-(Methylsulfonyl)aniline

There total 38 articles about 4-(Methylsulfonyl)aniline 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: 98.0%