Endosulfan

Base Information

• Chemical Name: Endosulfan
• CAS No.: 115-29-7
• Deprecated CAS: 6994-04-3,8003-45-0,8003-45-0
• Molecular Formula: C9H6Cl6O3S
• Molecular Weight: 406.929
• Hs Code.: 29209090
• European Community (EC) Number: 204-079-4
• ICSC Number: 0742
• UN Number: 2761
• DSSTox Substance ID: DTXSID1020560
• Nikkaji Number: J2.897E
• Wikipedia: Endosulfan
• Wikidata: Q424208
• Metabolomics Workbench ID: 53154
• ChEMBL ID: CHEMBL194399
• Mol file: 115-29-7.mol

Synonyms:alpha Endosulfan;alpha-Endosulfan;beta Endosulfan;beta-Endosulfan;Endosulfan;Thiodan;Thiodon;Thiotox

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Endosulfan

Chemical Property:

• Appearance/Colour: brown or colorless crystalline solid
• Vapor Pressure: 7.42E-08mmHg at 25°C
• Melting Point: 106 °C
• Refractive Index: 1.674
• Boiling Point: 449.7 °C at 760 mmHg
• Flash Point: 225.8 °C
• PSA: 54.74000
• Density: 1.94 g/cm³
• LogP: 4.55550
• Storage Temp.: APPROX 4°C
• Water Solubility.: <0.1 g/100 mL at 23℃
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 405.813931
• Heavy Atom Count: 19
• Complexity: 470
• Transport DOT Label: Poison

Purity/Quality:

Safty Information:

• Pictogram(s): T,N,Xn,F
• Hazard Codes: T,N,Xn,F,T+
• Statements: 24/25-36-50/53-67-65-62-51/53-48/20-38-11-26/28-21
• Safety Statements: 28-36/37-45-60-61-62-63-33-29-16-9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Organochlorine Pesticides
• Canonical SMILES: C1C2C(COS(=O)O1)C3(C(=C(C2(C3(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 and blood. This may result in irritability, convulsions and renal failure. Exposure at high levels could cause death. The effects may be delayed. Medical observation is indicated.
• Description: Endosulfan (70) [115-29-7], 6,7,8,9,10,10- hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3,- benzo-dioxathiepine 3-oxide (IUPAC) [The technical product is a mixture of two isomers: α-endosulfan: 3α,5αβ,6α, 9α,9αβ (64–67%) (70a) and β-endosulfan 3α,5aα,6β,9β, 9aα, (29–32%) (70b)]; [959-98-8] (formerly [33213-66- 0]) (β-endosulfan);[33213-65-9] (formerly [891-86-1] and [19670-15-6]) (β-endosulfan) is the adduct of hexachlorocyclopentadiene and 1,4-dihydroxy-2-butene reacted further with SOCl2 to produce 6,7,8,9,10,10-hexachloro- 1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxa thiepin-3-oxide. The technical product is a brownish solid, mp 70–100 ?C, vapor pressure 1.3 mPa at 25 ?C, soluble in petroleum solvents but having low solubility in water. It consists of about four parts of α-isomer (mp 108 ?C, cis with regard to the sulfite group) and one part of the β-isomer (mp 206 ?C, trans with regard to the sulfite group). The α-isomer, which is somewhat more insecticidal, is slowly converted to the more stable β-isomer at high temperature, and both isomers are oxidized slowly to endosulfan sulfate [1031-07-8] (mp 181 ?C). In acid media, both isomers form endosulfan diol [2157-19-9] (mp 203 ?C).
• Uses: Insecticide. Endosulfan is used for the control of sucking, chewing, boring insects and mites on a wide variety of crops. It also controls tsetse flies.

Technology Process of Endosulfan

There total 2 articles about Endosulfan 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:

→ Endosulfan (115-29-7,8003-45-0)

Guidance literature:

Reference yield:

→ (1R,2R,9S)-1,9,10,11,12,12-Hexachloro-4,6-dioxa-5-thia-tricyclo[7.2.1.02,8]dodec-10-ene 5-oxide (115-29-7,959-98-8,33213-65-9,115459-37-5,8003-45-0)

Guidance literature:

Diol (IV), SOCl2;

Reference yield:

Endosulfan (115-29-7,8003-45-0) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,4,5,6,7,7-Hexachloro-bicyclo[2.2.1]hept-5-ene-2,3-dione (59896-77-4)

Guidance literature:

With oxygen; sodium t-butanolate; In dimethyl sulfoxide; Rate constant; Thermodynamic data; mulpistep reaction; effective rate constants for chemiluminescence decay and activation parameters: ΔH(excit.), ΔS(excit.), ΔG(excit.);

Downstream raw materials:

formaldehyd

1,4,5,6,7,7-Hexachloro-bicyclo[2.2.1]hept-5-ene-2,3-dione

1,2,3,4,7,7-hexachloro-5,6-bis(hydroxymethyl)bicyclo<2.2.1>hept-2-ene

endosulfan ether

Refernces

• 1、 -. "Use of citric acid derivatives as pesticidal adjuvants". . . Retrieved 2008/06/13.
• 2、 -. "Propynyl benzyl ethers". . . Retrieved 2008/06/13.