Hexadrin

Base Information

• Chemical Name: Hexadrin
• CAS No.: 72-20-8
• Deprecated CAS: 25320-73-4,1195294-62-2,18466-93-8,12715-94-5
• Molecular Formula: C12H8 Cl6 O
• Molecular Weight: 380.913
• European Community (EC) Number: 200-775-7
• UNII: OB9NVE7YCL
• UN Number: 2761
• ChEMBL ID: CHEMBL2356732
• DSSTox Substance ID: DTXSID6020561
• ICSC Number: 1023
• Metabolomics Workbench ID: 134053
• Wikidata: Q423354
• Wikipedia: Endrin
• Mol file: 72-20-8.mol

Synonyms:Endrin;Hexadrin

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Chemical Property of Hexadrin

Chemical Property:

• Appearance/Colour: white or beige crystalline solid
• Vapor Pressure: 9.43E-07mmHg at 25°C
• Melting Point: ca. 200 C (decomposes)
• Boiling Point: 416.2°C at 760 mmHg
• Flash Point: 155.3°C
• PSA: 12.53000
• Density: 1.84g/cm³
• LogP: 4.48140
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 379.867681
• Heavy Atom Count: 19
• Complexity: 516
• Transport DOT Label: Poison

Purity/Quality:

Safty Information:

• Pictogram(s): Toxic by inhalation and skin absorption, a carcinogen, use may be restricted. TLV: 0.1 mg/m³; not classifiable as a human carcinogen.
• Hazard Codes: Toxic by inhalation and skin absorption, a carcinogen, use may be restricted. TLV: 0.1 mg/m3; not classifiable as a human carcinogen.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl
• Isomeric SMILES: C1[C@@H]2[C@@H]3[C@H]([C@H]1[C@H]4[C@@H]2O4)[C@@]5(C(=C([C@]3(C5(Cl)Cl)Cl)Cl)Cl)Cl
• Inhalation Risk: Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly on spraying or when dispersed, especially if powdered.
• Effects of Short Term Exposure: The substance may cause effects on the central nervous system. This may result in convulsions and death. The effects may be delayed. Medical observation is indicated.

Technology Process of Hexadrin

There total 3 articles about Hexadrin 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: 92.0%

isodrin (465-73-6) → Endrin (72-20-8)

Guidance literature:

With potassium fluoride; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 16h; Ambient temperature;

DOI:10.1016/S0957-4166(98)00259-6

Reference yield:

→ Endrin (72-20-8)

Guidance literature:

With dihydrogen peroxide; acetic acid;

Reference yield:

→ Dieldrin (60-57-1,72-20-8,128-10-9,56816-04-7)

Guidance literature:

trans-9,10-Brom-endoacetoxy-derivat von Aldrin, KOH/W./Dioxan;

DOI:10.1016/S0040-4039(00)72183-6

upstream raw materials:

isodrin

Downstream raw materials:

endrin ketone

C₁₂H₉Cl₅O

C₁₂H₉Cl₅O

C₁₂H₉Cl₅O