4-Methyl-5-nitrocatechol

Base Information

Chemical Name:4-Methyl-5-nitrocatechol
CAS No.:68906-21-8
Molecular Formula:C7H7NO4
Molecular Weight:169.137
Hs Code.:
ChEMBL ID:CHEMBL288833
DSSTox Substance ID:DTXSID20218983
Metabolomics Workbench ID:130038
Nikkaji Number:J768.871G
Wikidata:Q27155547
Mol file:68906-21-8.mol

Synonyms:4-methyl-5-nitrocatechol

Suppliers and Price of 4-Methyl-5-nitrocatechol

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-Methyl-5-nitrocatechol
5g
$ 850.00

Medical Isotopes, Inc.
4-Methyl-5-nitrocatechol
5 g
$ 1640.00

American Custom Chemicals Corporation
4-METHYL-5-NITROCATECHOL 95.00%
10G
$ 2333.10

American Custom Chemicals Corporation
4-METHYL-5-NITROCATECHOL 95.00%
1G
$ 739.20

Total 8 raw suppliers

Chemical Property of 4-Methyl-5-nitrocatechol

Chemical Property:

Vapor Pressure:1.64E-05mmHg at 25°C
Melting Point:180-182°C
Boiling Point:354.5°C at 760 mmHg
Flash Point:163.1°C
PSA：86.28000
Density:1.478
LogP:1.83760
Storage Temp.:-20°C Freezer, Under Inert Atmosphere
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:169.03750770
Heavy Atom Count:12
Complexity:179

Purity/Quality:

97% ^*data from raw suppliers

4-Methyl-5-nitrocatechol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C=C1[N+](=O)[O-])O)O
Uses MNC is on the metabolic pathway for 2,4-Dinitotoluene degradation MNC is on the metabolic pathway for 2,4-Dinitotoluene degradation.

Technology Process of 4-Methyl-5-nitrocatechol

There total 6 articles about 4-Methyl-5-nitrocatechol 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: 80.0%

: 452-86-8
4-methyl-1,2-dihydroxybenzene

: 68906-21-8
4-methyl-5-nitrobenzene-1,2-diol

Guidance literature:: With sulfuric acid; sodium nitrite; at 0 ℃; for 0.5h;
DOI:10.1016/S0960-894X(01)00680-1

Reference yield:

: 93-51-6
2-Methoxy-4-methylphenol

: 68906-21-8
4-methyl-5-nitrobenzene-1,2-diol

Guidance literature:: Multi-step reaction with 2 steps

1: hydrogen bromide

2: water; sulfuric acid; NaNO₂

With sulfuric acid; water; hydrogen bromide; sodium nitrite;