1,2,3,4,5,6,7,8,10,10,11,11-Dodecachloro-4,4a,4b,5,8,8a,9,9a-octahydro-1h-1,4:5,8-dimethanofluorene

Base Information

• Chemical Name: 1,2,3,4,5,6,7,8,10,10,11,11-Dodecachloro-4,4a,4b,5,8,8a,9,9a-octahydro-1h-1,4:5,8-dimethanofluorene
• CAS No.: 13560-91-3
• Molecular Formula: C₁₅H₆Cl₁₂
• Molecular Weight: 611.649
• NSC Number: 91800
• DSSTox Substance ID: DTXSID40929084
• Mol file: 13560-91-3.mol

Synonyms:NSC 91800;13560-91-3;1,4,5,6,7,11,12,13,14,14,15,15-Dodecachloropentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene;1,2,3,4,5,6,7,8,10,10,11,11-dodecachloro-4,4a,4b,5,8,8a,9,9a-octahydro-1h-1,4:5,8-dimethanofluorene;NSC91800;DTXSID40929084;NSC-91800;1,2,3,4,5,6,7,8,10,10,11,11-Dodecachloro-4,4a,4b,5,8,8a,9,9a-octahydro-1,4:5,8-dimethano-1H-fluorene;FT-0673166;J-006734

Chemical Property of 1,2,3,4,5,6,7,8,10,10,11,11-Dodecachloro-4,4a,4b,5,8,8a,9,9a-octahydro-1h-1,4:5,8-dimethanofluorene

Chemical Property:

• Vapor Pressure: 1.11E-10mmHg at 25°C
• Boiling Point: 527.4°C at 760 mmHg
• Flash Point: 266.5°C
• PSA: 0.00000
• Density: 1.97g/cm³
• LogP: 8.54590
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 611.664332
• Heavy Atom Count: 27
• Complexity: 806

Purity/Quality:

99% ^*data from raw suppliers

NSC91800 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C(C3C1C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C5(C(=C(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl

Technology Process of 1,2,3,4,5,6,7,8,10,10,11,11-Dodecachloro-4,4a,4b,5,8,8a,9,9a-octahydro-1h-1,4:5,8-dimethanofluorene

There total 8 articles about 1,2,3,4,5,6,7,8,10,10,11,11-Dodecachloro-4,4a,4b,5,8,8a,9,9a-octahydro-1h-1,4:5,8-dimethanofluorene 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:

(+/-)-4.5.6.7.8.8-hexachloro-(3arH.7acH)-3a.4.7.7a-tetrahydro-4c.7c-methano-indene (3734-48-3,13592-37-5,14487-72-0,23720-58-3,66429-29-6,66429-30-9,66429-31-0,102850-51-1) + hexachlorocyclopentadiene (77-47-4) → (+/-)-1.2.3.4.5.6.7.8.10.10.11.11-dodecachloro-(4arH.4btH.8atH.9acH)-1.4.4a.4b.5.8.8a.9a-octahydro-1c.4c:5t.8t-dimethano-fluorene (13560-91-3,130273-42-6)

Guidance literature:

With xylene; at 135 - 175 ℃;

DOI:10.1177/1081180X02007001006

Reference yield:

cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) + hexachlorocyclopentadiene (77-47-4) → (+/-)-1.2.3.4.5.6.7.8.10.10.11.11-dodecachloro-(4arH.4btH.8atH.9acH)-1.4.4a.4b.5.8.8a.9a-octahydro-1c.4c:5t.8t-dimethano-fluorene (13560-91-3,130273-42-6)

Guidance literature:

at 185 ℃;

DOI:10.1177/1081180X02007001006

Reference yield:

cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) → (+/-)-1.2.3.4.5.6.7.8.10.10.11.11-dodecachloro-(4arH.4btH.8atH.9acH)-1.4.4a.4b.5.8.8a.9a-octahydro-1c.4c:5t.8t-dimethano-fluorene (13560-91-3,130273-42-6)

Guidance literature:

Multi-step reaction with 2 steps

1: <100

2: xylene / 135 - 175 °C

With xylene;

DOI:10.1177/1081180X02007001006

upstream raw materials:

chlordene

hexachlorocyclopentadiene

cyclopenta-1,3-diene

(+/-)-4.5.6.7.8.8-hexachloro-(3arH.7acH)-3a.4.7.7a-tetrahydro-4c.7c-methano-indene

Refernces