Description

The Bis(2-ethylhexyl)chlorendate (CAS No. 4827-55-8) is a highly specialized organochlorine compound with the molecular formula C₂₅H₃₆Cl₆O₄. This bicycloheptene derivative features a hexachlorinated core structure esterified with 2-ethylhexyl groups, offering unique chemical properties for advanced applications. With an IUPAC name of bis(2-ethylhexyl) 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate, this compound is characterized by its high chlorine content and hydrophobic nature. Provided as a high-purity material suitable for research and industrial applications, it is ideal for studies in polymer chemistry, flame retardancy, and specialty material synthesis. Available in various quantities with strict quality control to ensure batch-to-batch consistency.

Properties

• CAS Number: 4827-55-8
• Complexity: 741
• IUPAC Name: bis(2-ethylhexyl) 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
• InChI: InChI=1S/C25H36Cl6O4/c1-5-9-11-15(7-3)13-34-21(32)17-18(22(33)35-14-16(8-4)12-10-6-2)24(29)20(27)19(26)23(17,28)25(24,30)31/h15-18H,5-14H2,1-4H3
• InChI Key: ONIHOIFWLALAQH-UHFFFAOYSA-N
• Exact Mass: 612.071526
• Molecular Formula: C25H36Cl6O4
• Molecular Weight: 613.3
• SMILES: CCCCC(CC)COC(=O)C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)OCC(CC)CCCC
• Topological: 52.6
• Monoisotopic Mass: 610.074476
• Synonyms: Bis(2-ethylhexyl)chlorendate, EINECS 225-405-1, NSC 22230, DTXSID20863457, Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, bis(2-ethylhexyl) ester, Bis(2-ethylhexyl) 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate, Bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, 2,3-bis(2-ethylhexyl) ester, Bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, bis(2-ethylhexyl) ester, Bis(2-ethylhexyl) 1,4,5,6,7,7-hexachlorobicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate, Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, 2,3-bis(2-ethylhexyl) ester, DTXCID70812076, 225-405-1, 4827-55-8, Di-2-ethylhexyl chlorendate, 5-Norbornene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, bis(2-ethylhexyl) ester, 2-ethylhexyl 1,4,5,6,7,7-hexachloro-3-[(2-ethylhexyl)oxycarbonyl]bicyclo[2.2.1 ]hept-5-ene-2-carboxylate, bis(2-ethylhexyl) chlorendate, NSC22230, bis(2-ethylhexyl) 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylate, Bis(2-ethylhexyl)chlorendate95, ONIHOIFWLALAQH-UHFFFAOYSA-N, NSC-22230, SBB057359, AKOS024365013, NS00002709, ST50997690, 5-Norbornene-2, 1,4,5,6,7,7-hexachloro-, bis(2-ethylhexyl) ester, Bicyclo[2.2.1]hept-5-ene-2, 1,4,5,6,7,7-hexachloro-, bis(2-ethylhexyl) ester

Application

This compound serves as a reactive intermediate in the synthesis of flame-retardant polymers and additives. Its hexachlorinated structure makes it valuable for developing materials with enhanced fire resistance properties. Researchers also utilize it as a plasticizer modifier or in cross-linking applications for specialty rubbers and coatings. The hydrophobic nature of this ester makes it suitable for studies in water-resistant material formulations.

Safety and Hazards

GHS Hazard Statements

• H319 (98.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264+P265, P280, P305+P351+P338, and P337+P317

Hazard Classes and Categories

• Eye Irrit. 2 (98.4%)

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