5-Methyl-6-nitro-1,3-benzodioxole

Base Information

• Chemical Name: 5-Methyl-6-nitro-1,3-benzodioxole
• CAS No.: 32996-27-3
• Molecular Formula: C8H7NO4
• Molecular Weight: 181.148
• Hs Code.: 2932990090
• ChEMBL ID: CHEMBL1671942
• DSSTox Substance ID: DTXSID00404160
• Wikidata: Q82208187
• Mol file: 32996-27-3.mol

Synonyms:32996-27-3;5-Methyl-6-nitrobenzo[d][1,3]dioxole;5-methyl-6-nitro-1,3-benzodioxole;SCHEMBL1028694;CHEMBL1671942;DTXSID00404160;HSJXVJRZFPZLSP-UHFFFAOYSA-N;2-nitro-4,5-methylenedioxytoluene;5-methyl-6-nitro-1,3-dioxaindane;2-nitro-4, 5-methylenedioxytoluene;MFCD00229114;5-methyl-6-nitro-benzo(1,3)dioxole;AKOS002210299;AKOS003349017;DS-8417;FT-0714816;C74685;EN300-129991;5-Methyl-6-nitrobenzo[d][1 pound not3]dioxole;Z1625781948

Chemical Property of 5-Methyl-6-nitro-1,3-benzodioxole

Chemical Property:

• Melting Point: 102-104 °C
• Boiling Point: 289.8±39.0 °C(Predicted)
• PSA: 64.28000
• Density: 1.407±0.06 g/cm3(Predicted)
• LogP: 2.15510
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 181.03750770
• Heavy Atom Count: 13
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

5-Methyl-6-nitrobenzo[d][1,3]dioxole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Technology Process of 5-Methyl-6-nitro-1,3-benzodioxole

There total 3 articles about 5-Methyl-6-nitro-1,3-benzodioxole 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:

bis-(6-methyl-benzo[1,3]dioxol-5-yl)-methane (109733-91-7) → Piperonylic acid (94-53-1) + 4,5-methylenedioxy-2-nitrotoluene (32996-27-3)

Guidance literature:

With water; nitric acid; vanadia;

Reference yield:

1,1-bis-(6-methyl-benzo[1,3]dioxol-5-yl)-ethane (110029-53-3) → Piperonylic acid (94-53-1) + 4,5-methylenedioxy-2-nitrotoluene (32996-27-3)

Guidance literature:

With water; nitric acid; vanadia;

Reference yield:

bis-(6-methyl-benzo[1,3]dioxol-5-yl)-methane (109733-91-7) + nitric acid (7697-37-2,78989-43-2) → Piperonylic acid (94-53-1) + 4,5-methylenedioxy-2-nitrotoluene (32996-27-3)

Guidance literature:

upstream raw materials:

bis-(6-methyl-benzo[1,3]dioxol-5-yl)-methane

1,1-bis-(6-methyl-benzo[1,3]dioxol-5-yl)-ethane

nitric acid

Downstream raw materials:

2-Amino-4,5-methylendioxy-toluol

5,6-methylenedioxyindole