2,4,6-Trinitroanisole

Base Information

• Chemical Name: 2,4,6-Trinitroanisole
• CAS No.: 606-35-9
• Molecular Formula: C7H5 N3 O7
• Molecular Weight: 243.133
• European Community (EC) Number: 620-419-8
• NSC Number: 36950
• UN Number: 0213
• UNII: N042W5PE52
• DSSTox Substance ID: DTXSID6060551
• Nikkaji Number: J44.112K
• Wikipedia: Trinitroanisole
• Mol file: 606-35-9.mol

Synonyms:2-Methoxy-1,3,5-trinitrobenzene;Methyl picrate;2,4,6-TRINITROANISOLE;606-35-9;Ether, methyl picryl;Trinitroanisole;Anisole, 2,4,6-trinitro-;Benzene, 2-methoxy-1,3,5-trinitro-;CCRIS 5346;2-Methoxy-1,3,5-trinitro-benzene;Ether, methyl 2,4,6-trinitrophenyl;NSC 36950;BRN 0429044;N042W5PE52;NSC-36950;UN0213;Trinitroanisole [UN0213] [Explosive 1.1D];4-06-00-01456 (Beilstein Handbook Reference);28653-16-9;2,6-Trinitroanisole;Anisole,4,6-trinitro-;Ether,4,6-trinitrophenyl;SCHEMBL225343;UNII-N042W5PE52;DTXSID6060551;HSDB 8402;NSC36950;NA0213;STK331797;AKOS003235613;LS-20223

Chemical Property of 2,4,6-Trinitroanisole

Chemical Property:

• Vapor Pressure: 1.28E-08mmHg at 25°C
• Melting Point: 69°C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 471.9°C at 760 mmHg
• Flash Point: 245.2°C
• PSA: 146.69000
• Density: 1.632g/cm³
• LogP: 2.98940
• Water Solubility.: 0.2g/L(15 oC)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 243.01274951
• Heavy Atom Count: 17
• Complexity: 306
• Transport DOT Label: Explosive 1.1D

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): E,Xn,N
• Hazard Codes: E,Xn,N
• Statements: 2-20/21/22-51/53
• Safety Statements: 35-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 2,4,6-Trinitroanisole

There total 62 articles about 2,4,6-Trinitroanisole 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%

2,4,6-trinitrochlorobenzene (88-88-0) + sodium methylate (124-41-4) + acetylacetone (123-54-6,81235-32-7) → 2,4,6-Trinitrophenol (88-89-1) + 1-methoxy-2,4,6-trinitrobenzene (606-35-9) + 3-(2,4,6-trinitrophenyl)-2,4-pentanedione (87687-98-7)

Guidance literature:

In methanol; dimethyl sulfoxide; at 25 ℃; Rate constant; Mechanism;

Reference yield: 95.0%

methanol (67-56-1) + 2,4,6-trinitronitrosobenzene (10123-09-8) → 1-methoxy-2,4,6-trinitrobenzene (606-35-9)

Guidance literature:

for 1h; Ambient temperature;

Reference yield: 93.0%

4-methoxybenzoic acid (100-09-4) → 1-methoxy-2,4,6-trinitrobenzene (606-35-9)

Guidance literature:

With sulfuric acid; nitric acid; at 70 ℃; for 2h;

upstream raw materials:

methanol

2,4,6-trinitro-phenetole

2,4,6-trinitrochlorobenzene

sodium methylate

Downstream raw materials:

2,4,6-trinitro-1-piperidinobenzene

piperidine; compound with 2,4,6-trinitro-anisole

2,4,6-Trinitrophenol

N-methyl pyridinium picrate

Refernces

• 1、 Buttle,Hewitt. "-". . p. 1759 Anm.. Retrieved 1909.
• 2、 Forlani, Luciano,Boga, Carla,Forconi, Marcello. "Kinetics and mechanism of reactions between 2,4,6-trinitrofluorobenzene and alcohols". . p. 1455 - 1458. Retrieved 2007/10/03.