1,2,3,4,5,6,7,8,9,10,13,13,14,14-Tetradecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4:5,8-dimethanotriphenylene

Base Information

• Chemical Name: 1,2,3,4,5,6,7,8,9,10,13,13,14,14-Tetradecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4:5,8-dimethanotriphenylene
• CAS No.: 84195-76-6
• Molecular Formula: C20H5 Cl14 N O2
• Molecular Weight: 787.607
• European Community (EC) Number: 282-383-6
• DSSTox Substance ID: DTXSID001004447
• Nikkaji Number: J333.075C
• Mol file: 84195-76-6.mol

Synonyms:EINECS 282-383-6;84195-76-6;1,2,3,4,5,6,7,8,9,10,13,13,14,14-Tetradecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4:5,8-dimethanotriphenylene;C20H5Cl14NO2;DTXSID001004447;C20-H5-Cl14-N-O2;1,2,3,4,5,6,7,8,9,10,13,13,14,14-Tetradecachloro-11-nitro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene

Chemical Property of 1,2,3,4,5,6,7,8,9,10,13,13,14,14-Tetradecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4:5,8-dimethanotriphenylene

Chemical Property:

• Vapor Pressure: 4.51E-16mmHg at 25°C
• Melting Point: 197-204 °C(lit.)
• Boiling Point: 650.2°C at 760 mmHg
• Flash Point: 347°C
• PSA: 45.82000
• Density: 2.05g/cm³
• LogP: 11.52900
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 786.587116
• Heavy Atom Count: 37
• Complexity: 1220

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C3C(C4C(C2=C(C(=C1[N+](=O)[O-])Cl)Cl)C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl

Technology Process of 1,2,3,4,5,6,7,8,9,10,13,13,14,14-Tetradecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4:5,8-dimethanotriphenylene

There total 1 articles about 1,2,3,4,5,6,7,8,9,10,13,13,14,14-Tetradecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4:5,8-dimethanotriphenylene 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:

1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4;5,8dimethano-triphenylene (5696-92-4,147730-93-6) → 1,2,3,4,5,6,7,8,9,10,13,13,14,14-tetradecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4:5,8-dimethanotriphenylene (84195-76-6)

Guidance literature:

Multistep reaction; (i) Cl₂, FeCl₃, CH₂Cl₂, (ii) NO₂/HNO₃;

DOI:10.1021/jo01054a074

Reference yield:

1,2,3,4,5,6,7,8,9,10,13,13,14,14-tetradecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4:5,8-dimethanotriphenylene (84195-76-6) → 3,4-Dichlor-2-naphthylamin (57346-59-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 390 - 400 °C / 0.5 Torr

2: SnCl₂*2H₂O, HCl / propan-2-ol

With hydrogenchloride; tin(ll) chloride; In isopropyl alcohol;

DOI:10.1021/jo01054a074

Reference yield:

1,2,3,4,5,6,7,8,9,10,13,13,14,14-tetradecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4:5,8-dimethanotriphenylene (84195-76-6) → 1,2-dichloro-3-nitro-naphthalene (6240-55-7)

Guidance literature:

at 390 - 400 ℃; under 0.5 Torr;

DOI:10.1021/jo01054a074

upstream raw materials:

1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4;5,8dimethano-triphenylene

Downstream raw materials:

1,2-dichloro-3-nitro-naphthalene

3,4-Dichlor-2-naphthylamin