CAS 3106-29-4

rel-(1R,2S,3S,4S,4aR,5R,8S,8aS)-5,6,7,8,9,9-Hexachloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2,3-diol

Description:

The chemical substance known as rel-(1R,2S,3S,4S,4aR,5R,8S,8aS)-5,6,7,8,9,9-Hexachloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2,3-diol, with CAS number 3106-29-4, is a synthetic organic compound characterized by its complex polycyclic structure and multiple chlorine substituents. This compound is part of a class of chemicals known for their potential use in various applications, including as insecticides or in other industrial processes. Its hexachloro configuration indicates a high degree of chlorination, which can significantly influence its chemical reactivity, stability, and biological activity. The presence of multiple stereocenters contributes to its stereochemistry, which may affect its interactions with biological systems. Additionally, the compound's hydrophobic nature, due to its extensive carbon framework and chlorine atoms, may impact its solubility and environmental behavior. Overall, this compound exemplifies the intricate relationship between molecular structure and chemical properties, making it a subject of interest in both synthetic chemistry and environmental studies.

Formula: C₁₂H₁₀Cl₆O₂

InChI: InChI=1/C12H10Cl6O2/c13-8-9(14)11(16)5-3-1-2(6(19)7(3)20)4(5)10(8,15)12(11,17)18/h2-7,19-20H,1H2/t2-,3+,4+,5-,6-,7-,10+,11-/s2

InChI key: InChIKey=NWRDBJRTQVHAKR-ZPSILLCSNA-N

SMILES: Cl[C@]12[C@@](Cl)(Cl)[C@](Cl)([C@@]3([C@]1([C@]4([C@H](O)[C@@H](O)[C@@]3(C4)[H])[H])[H])[H])C(Cl)=C2Cl

Synonyms:

• 1,4:5,8-Dimethanonaphthalene-2,3-diol, 5,6,7,8,9,9-hexachloro-1,2,3,4,4a,5,8,8a-octahydro-
• 1,4:5,8-Dimethanonaphthalene-2,3-diol, 5,6,7,8,9,9-hexachloro-1,2,3,4,4a,5,8,8a-octahydro-, (1R,2S,3S,4S,4aR,5R,8S,8aS)-rel-
• 1,4:5,8-Dimethanonaphthalene-2,3-diol, 5,6,7,8,9,9-hexachloro-1,2,3,4,4a,5,8,8a-octahydro-, (1α,2α,3β,4α,4aβ,5α,8α,8aβ)-
• 1,4:5,8-Dimethanonaphthalene-2,3-diol, 5,6,7,8,9,9-hexachloro-1,2,3,4,4a,5,8,8a-octahydro-, stereoisomer
• 6,7-trans-Dihydroxydihydroaldrin
• Aldrin diol, trans-
• Aldrin-transdiol
• Dihydroaldrin-4,5-trans-diol
• Wl 40549
• rel-(1R,2S,3S,4S,4aR,5R,8S,8aS)-5,6,7,8,9,9-Hexachloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2,3-diol
• trans-6,7-Dihydroxydihydroaldrin

Aldrin-transdiol

CAS: 3106-29-4

Aldrin-transdiol is a metabolite of dieldrin. Aldrin-transdiol may be used in insecticides.

Formula: C₁₂H₁₀Cl₆O₂

Color and Shape: Solid

Molecular weight: 398.92

Ref: TM-T29854

trans-Aldrindiol

Controlled Product

CAS: 3106-29-4

Applications A metabolite of Dieldrin in mammals, insects, and microorganism.
References Korte, F., et al.: Life Science, 4, 2017 (1965), Chau, A.S.Y., et al.: Bull. Environ. Contam. Toxicol., 5, 515 (1970),

Formula: C₁₂H₁₀Cl₆O₂

Color and Shape: Neat

Molecular weight: 398.925

Ref: TR-A521100