Anti-dodecachloropentacyclooctadecadiene

Base Information

• Chemical Name: Anti-dodecachloropentacyclooctadecadiene
• CAS No.: 135821-74-8
• Molecular Formula: C₁₈H₁₂Cl₁₂
• Molecular Weight: 653.729
• UNII: I1OSJ03H46
• DSSTox Substance ID: DTXSID201016864
• Wikidata: Q27280258
• Mol file: 135821-74-8.mol

Synonyms:Anti-dodecachloropentacyclooctadecadiene;Anti-dechlorane plus;Anti-dp;135821-74-8;Dodecachloropentacyclooctadecadiene, anti-;I1OSJ03H46;(1R,2R,5R,6R,9S,10S,13S,14S)-1,6,7,8,9,14,15,16,17,17,18,18-dodecachloropentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene;1,4:7,10-Dimethanodibenzo(a,E)cyclooctene, 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-, (1R,4S,4aS,6aS,7S,10R,10aR,12aR)-rel-;UNII-I1OSJ03H46;DTXSID201016864;1,4:7,10-Dimethanodibenzo(a,E)cyclooctene, 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-, (1alpha,4alpha,4abeta,6aalpha,7beta,10beta,10aalpha,12abeta)-;Q27280258;1,4:7,10-DIMETHANODIBENZO(A,E)CYCLOOCTENE, 1,2,3,4,7,8,9,10,13,13,14,14-DODECACHLORO-1,4,4A,5,6,6A,7,10,10A,11,12,12A-DODECAHYDRO-, (1.ALPHA.,4.ALPHA.,4A.BETA.,6A.ALPHA.,7.BETA.,10.BETA.,10A.ALPHA.,12A.BETA.)-

Chemical Property of Anti-dodecachloropentacyclooctadecadiene

Chemical Property:

• Boiling Point: 599.8±50.0 °C(Predicted)
• Density: 1.82±0.1 g/cm3(Predicted)
• XLogP3: 8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 653.711282
• Heavy Atom Count: 30
• Complexity: 782

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2C(CCC3C1C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C5(C(=C(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl
• Isomeric SMILES: C1C[C@@H]2[C@H](CC[C@H]3[C@@H]1[C@]4(C(=C([C@@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl)[C@@]5(C(=C([C@]2(C5(Cl)Cl)Cl)Cl)Cl)Cl
• Uses: anti-Dechlorane plus is a flame retardant and a standard for environmental testing and research. anti-Dechlorane plus is an enantiomer of syn-Dechlorane Plus (D226640).

Technology Process of Anti-dodecachloropentacyclooctadecadiene

There total 2 articles about Anti-dodecachloropentacyclooctadecadiene 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:

1,5-cis,cis-cyclooctadiene (1552-12-1,111-78-4) + hexachlorocyclopentadiene (77-47-4) → syn-dechlorane plus (135821-03-3) + anti-dechlorane plus (135821-74-8)

Guidance literature:

at 135 ℃; for 3h; Yield given. Yields of byproduct given;

DOI:10.1016/S0040-4039(00)92688-1

Reference yield:

1,10,11,12,13,13-hexachlorotricyclo[8.2.1.02.9]trideca-5,11-diene (10297-21-9,135821-04-4) + hexachlorocyclopentadiene (77-47-4) → syn-dechlorane plus (135821-03-3) + anti-dechlorane plus (135821-74-8)

Guidance literature:

at 135 ℃; Yields of byproduct given;

DOI:10.1016/S0040-4039(00)92689-3

upstream raw materials:

1,5-cis,cis-cyclooctadiene

hexachlorocyclopentadiene

1,10,11,12,13,13-hexachlorotricyclo[8.2.1.02.9]trideca-5,11-diene