2-Methyl-5-nitrobenzenesulfonic acid

Base Information

Chemical Name:2-Methyl-5-nitrobenzenesulfonic acid
CAS No.:121-03-9
Molecular Formula:C7H7NO5S
Molecular Weight:217.202
Hs Code.:2904909090
European Community (EC) Number:204-445-3
NSC Number:9580
UNII:JBO1Z0PMOH
DSSTox Substance ID:DTXSID4026975
Nikkaji Number:J10.070F,J301.855E
Wikidata:Q27135631
Metabolomics Workbench ID:64926
ChEMBL ID:CHEMBL3183957
Mol file:121-03-9.mol

Synonyms:4-nitrotoluene-2-sulfonic acid;p-nitrotoluene-o-sulfonic acid

Suppliers and Price of 2-Methyl-5-nitrobenzenesulfonic acid

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
5-Nitro-o-toluenesulfonicAcid
100g
$ 275.00

TRC
5-Nitro-o-toluenesulfonicAcid
10g
$ 180.00

TCI Chemical
4-Nitrotoluene-2-sulfonic Acid Hydrate >95.0%(T)
500g
$ 298.00

TCI Chemical
4-Nitrotoluene-2-sulfonic Acid Hydrate >95.0%(T)
25g
$ 55.00

Medical Isotopes, Inc.
5-Nitro-o-toluenesulfonicAcid
100 g
$ 775.00

Medical Isotopes, Inc.
5-Nitro-o-toluenesulfonicAcid
10 g
$ 675.00

Crysdot
2-Methyl-5-nitrobenzenesulfonicacid 95+%
500g
$ 240.00

Crysdot
2-Methyl-5-nitrobenzenesulfonicacid 95+%
100g
$ 80.00

ChemScene
p-Nitrotoluene-o-sulfonicacid 99.77%
100g
$ 55.00

American Custom Chemicals Corporation
4-NITROTOLUENE-2-SULFONIC ACID 95.00%
500G
$ 4368.33

Total 134 raw suppliers

Chemical Property of 2-Methyl-5-nitrobenzenesulfonic acid

Chemical Property:

Vapor Pressure:0Pa at 20℃
Melting Point:135 °C
Refractive Index:1.596
Boiling Point:500oC
PKA:-1.14±0.33(Predicted)
PSA：108.57000
Density:1.547 g/cm³
LogP:2.75390
Storage Temp.:Sealed in dry,Room Temperature
Solubility.:Methanol (Slightly), Water (Slightly)
Water Solubility.:667g/L at 23℃
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:217.00449350
Heavy Atom Count:14
Complexity:314

Purity/Quality:

99% ^*data from raw suppliers

5-Nitro-o-toluenesulfonicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 34-41-43-36-22
Safety Statements: 26-36/37/39-39-36/37

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Nitrogen Compounds -> Nitrobenzesulfonic Acids
Canonical SMILES:CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O
Uses 5-Nitro-o-toluenesulfonic Acid is a precursor to 4,4''-dinitrostilbene-2,2''-disulfonic acid in fluorescent whitener.

Technology Process of 2-Methyl-5-nitrobenzenesulfonic acid

There total 13 articles about 2-Methyl-5-nitrobenzenesulfonic acid 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%