2,3,5,6-Tetrachloro-4-nitroanisole

Base Information

• Chemical Name: 2,3,5,6-Tetrachloro-4-nitroanisole
• CAS No.: 2438-88-2
• Molecular Formula: C₇H₃Cl₄NO₃
• Molecular Weight: 290.918
• Hs Code.: 2909309090
• NSC Number: 407047
• UNII: AOX0D94LLR
• DSSTox Substance ID: DTXSID2021313
• Nikkaji Number: J7.897B
• Wikidata: Q27274042
• ChEMBL ID: CHEMBL405522
• Mol file: 2438-88-2.mol

Synonyms:2,3,5,6-TETRACHLORO-4-NITROANISOLE;TCNA;2438-88-2;Tetrachloronitroanisole;1,2,4,5-Tetrachloro-3-methoxy-6-nitrobenzene;NCI-C03032;ENT 22,335;4-Nitro-2,3,5,6-tetrachloranisole;CCRIS 580;NSC 407047;Benzene, 1,2,4,5-tetrachloro-3-methoxy-6-nitro-;Anisole, 2,3,5,6-tetrachloro-4-nitro-;HSDB 4119;UNII-AOX0D94LLR;AOX0D94LLR;BRN 2382408;AI3-22335;NSC-407047;C7H3Cl4NO3;CHEMBL405522;C7-H3-Cl4-N-O3;DTXSID2021313;SCHEMBL10984978;2,3,5,6-tetrachloronitroanisole;TETRACHLORO-4-NITROANISOLE;4-Nitro-2,5,6-tetrachloranisole;2,5,6-Tetrachloro-4-nitroanisole;WLN: WNR BG CG EG FG DO1;ENT-22335;NSC407047;4-nitro-2,3,5,6-tetrachloroanisole;Anisole,3,5,6-tetrachloro-4-nitro-;LS-1051;Benzene,2,4,5-tetrachloro-3-methoxy-6-nitro-;TETRACHLORO-4-NITROANISOLE, 2,3,5,6-;2,3,5,6-TETRACHLORO-4-NITROANISOLE [HSDB];Q27274042

Chemical Property of 2,3,5,6-Tetrachloro-4-nitroanisole

Chemical Property:

• Vapor Pressure: 3.26E-05mmHg at 25°C
• Melting Point: 101oC to 105oC
• Refractive Index: 1.6200 (estimate)
• Boiling Point: 365.6°C at 760 mmHg
• Flash Point: 174.9°C
• PSA: 55.05000
• Density: 1.68g/cm³
• LogP: 4.74020
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 290.883754
• Heavy Atom Count: 15
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

2,3,5,6-TETRACHLORO-4-NITROANISOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Fungicides
• Canonical SMILES: COC1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl

Technology Process of 2,3,5,6-Tetrachloro-4-nitroanisole

There total 6 articles about 2,3,5,6-Tetrachloro-4-nitroanisole 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:

2,3,5,6-tetrachloroanisole (6936-40-9) → 2,3,5,6-tetrachloro-4-nitro-anisole (2438-88-2)

Guidance literature:

With nitric acid; at 0 ℃;

DOI:10.1039/jr9430000233

Reference yield:

hexachlorobenzene (118-74-1,67471-27-6) → 2,3,5,6-tetrachloro-4-nitro-anisole (2438-88-2)

Guidance literature:

Multi-step reaction with 4 steps

2: H₂O₂, HCO₂H / CHCl₃

3: CF₃CO₂H, aq. H₂O₂ / CHCl₃ / Heating

4: methanol; tetrahydrothiophene 1,1-dioxide

With formic acid; dihydrogen peroxide; trifluoroacetic acid; In sulfolane; methanol; chloroform;

DOI:10.1039/j39690001285

Reference yield:

pentachloronitrosobenzene (13665-49-1) → 2,3,5,6-tetrachloro-4-nitro-anisole (2438-88-2)

Guidance literature:

Multi-step reaction with 2 steps

1: CF₃CO₂H, aq. H₂O₂ / CHCl₃ / Heating

2: methanol; tetrahydrothiophene 1,1-dioxide

With dihydrogen peroxide; trifluoroacetic acid; In sulfolane; methanol; chloroform;

DOI:10.1039/j39690001285

upstream raw materials:

1,2,4,5-tetrachloro-3,6-dinitrobenzene

sodium methylate

2,3,5,6-tetrachloroanisole

Quintozene

Downstream raw materials:

4-Diazo-2,3,5,6-tetrachlorocyclohexa-2,5-diene-1-one

2,3,5,6-tetrachlorohydroquinone diacetate