4-nitrososulfamethoxazole

Base Information

Chemical Name:4-nitrososulfamethoxazole
CAS No.:131549-85-4
Molecular Formula:C10H9 N3 O4 S
Molecular Weight:267.265
Hs Code.:
European Community (EC) Number:808-322-0
UNII:KK4E4D7F9Y
DSSTox Substance ID:DTXSID60157105
Nikkaji Number:J370.405J
Wikidata:Q27123889
Metabolomics Workbench ID:58510
ChEMBL ID:CHEMBL3827762
Mol file:131549-85-4.mol

Synonyms:4-Nitrososulfamethoxazole

Suppliers and Price of 4-nitrososulfamethoxazole

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-NitrosoSulfamethoxazole,>90%
25mg
$ 1695.00

Sigma-Aldrich
4-Nitrososulfamethoxazole analytical standard
10mg
$ 212.00

American Custom Chemicals Corporation
4-NITROSO SULFAMETHOXAZOLE 95.00%
5MG
$ 504.93

Total 7 raw suppliers

Chemical Property of 4-nitrososulfamethoxazole

Chemical Property:

Vapor Pressure:4.1E-09mmHg at 25°C
Melting Point:>180°C (dec.)
Boiling Point:472.9°Cat760mmHg
PKA:5.90±0.50(Predicted)
Flash Point:239.8°C
PSA：110.01000
Density:1.53g/cm³
LogP:3.33550
Storage Temp.:-20?C Freezer, Under Inert Atmosphere
Solubility.:DMSO (Slightly), Ethyl Acetate (Slightly, Heated), Methanol (Slightly, Heated)
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:267.03137695
Heavy Atom Count:18
Complexity:386

Purity/Quality:

98%Min ^*data from raw suppliers

4-NitrosoSulfamethoxazole,>90% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38-43
Safety Statements: 26-36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N=O

Technology Process of 4-nitrososulfamethoxazole

There total 4 articles about 4-nitrososulfamethoxazole 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: 85.0%

: 114438-33-4
sulphamethoxazole hydroxylamine

: 131549-85-4
nitroso derivative of sulfamethoxazole

Guidance literature:: With iron(III) chloride; In ethanol; water; for 2h;
DOI:10.1016/S0960-894X(96)00260-0

Reference yield:

: 18607-98-2
N¹-acetylsulfamethoxazole

: 1072-67-9
5-methylisoxazol-3-ylamine

: 947619-95-6
5-methyl-3-nitrosoisoxazole

: 121-62-0
N-acetylsulfanilic acid

: 131549-85-4
nitroso derivative of sulfamethoxazole

: 618-41-7
Benzenesulfinic acid

: 29699-89-6
N-(5-methyl-isoxazol-3-yl)-4-nitro-benzenesulfonamide

Guidance literature:: With sodium sulfate; In water; pH=7; pH-value; Reagent/catalyst; Kinetics; Electrochemical reaction;
DOI:10.1016/j.cclet.2020.03.073

Reference yield:

: 98-74-8
4-Nitrobenzenesulfonyl chloride

: 131549-85-4
nitroso derivative of sulfamethoxazole

Guidance literature:: Multi-step reaction with 3 steps

1: pyridine / 24 h / 0 °C

2: sodium phosphinite / Pd/C / H₂O; tetrahydrofuran

3: 85 percent / FeCl₃ / H₂O; ethanol / 2 h

With sodium hypophosphite; iron(III) chloride; palladium on activated charcoal; In tetrahydrofuran; pyridine; ethanol; water;
DOI:10.1016/S0960-894X(96)00260-0