CAS 13560-90-2

rel-(1R,4S,4aS,4bS,5R,5aR,6R,9S,9aS,10S,10aS,11aR)-1,2,3,4,6,7,8,9,13,13,14,14-Dodecachloro-4,4a,4b,5,5a,6,9,9a,10,10a,11,11a-dodecahydro-1,4:5,10:6,9-trimethano-1H-benzo[b]fluorene

Description:

The chemical substance known as rel-(1R,4S,4aS,4bS,5R,5aR,6R,9S,9aS,10S,10aS,11aR)-1,2,3,4,6,7,8,9,13,13,14,14-Dodecachloro-4,4a,4b,5,5a,6,9,9a,10,10a,11,11a-dodecahydro-1,4:5,10:6,9-trimethano-1H-benzo[b]fluorene, with CAS number 13560-90-2, is a complex polycyclic compound characterized by its extensive chlorination and multiple stereocenters. This compound features a dodecachloro structure, indicating the presence of twelve chlorine atoms, which significantly influences its chemical properties, including its reactivity and potential biological activity. The stereochemistry, denoted by the specific R and S configurations, suggests that the molecule has distinct spatial arrangements that can affect its interactions with biological systems. The presence of multiple fused rings contributes to its stability and hydrophobic characteristics, making it less soluble in polar solvents. Such compounds are often studied for their environmental persistence and potential toxicity, particularly in relation to their effects on living organisms and ecosystems. Overall, this substance exemplifies the complexity and diversity of synthetic organic compounds.

Formula: C₂₀H₁₂Cl₁₂

InChI: InChI=1/C20H12Cl12/c21-11-12(22)18(28)10-6(15(11,25)19(18,29)30)2-3-4-1-5(7(3)10)9-8(4)16(26)13(23)14(24)17(9,27)20(16,31)32/h3-10H,1-2H2/t3-,4-,5+,6+,7-,8-,9+,10+,15+,16-,17+,18-/s2

InChI key: InChIKey=COOHPPAZRZIWHM-GIQMAGCNNA-N

SMILES: Cl[C@]12[C@]3([C@@]4([C@@]5([C@@]6([C@]([C@]([C@@]4(C[C@]3([C@](Cl)([C@]1(Cl)Cl)C(Cl)=C2Cl)[H])[H])(C5)[H])([C@@]7(Cl)[C@](Cl)(Cl)[C@]6(Cl)C(Cl)=C7Cl)[H])[H])[H])[H])[H]

Synonyms:

• rel-(1R,4S,4aS,4bS,5R,5aR,6R,9S,9aS,10S,10aS,11aR)-1,2,3,4,6,7,8,9,13,13,14,14-Dodecachloro-4,4a,4b,5,5a,6,9,9a,10,10a,11,11a-dodecahydro-1,4:5,10:6,9-trimethano-1H-benzo[b]fluorene
• Fireshield C 3
• Dechlorane 601
• 1,4:5,10:6,9-Trimethano-1H-benzo[b]fluorene, 1,2,3,4,6,7,8,9,13,13,14,14-dodecachloro-4,4a,4b,5,5a,6,9,9a,10,10a,11,11a-dodecahydro-, (1R,4S,4aS,4bS,5R,5aR,6R,9S,9aS,10S,10aS,11aR)-rel-
• 1,4:5,10:6,9-Trimethano-1H-benzo[b]fluorene, 1,2,3,4,6,7,8,9,13,13,14,14-dodecachloro-4,4a,4b,5,5a,6,9,9a,10,10a,11,11a-dodecahydro-

Fireshield C3

Controlled Product

CAS: 13560-90-2

Applications Flame Retardant commonly applied to plastics

Formula: C₂₀H₁₂Cl₁₂

Color and Shape: Neat

Molecular weight: 677.745

Ref: TR-F500005