Heptachlor

Base Information

• Chemical Name: Heptachlor
• CAS No.: 76-44-8
• Deprecated CAS: 23720-59-4,37229-06-4
• Molecular Formula: C10H5 Cl7
• Molecular Weight: 373.321
• Hs Code.: 2903820010
• European Community (EC) Number: 200-962-3
• ICSC Number: 0743
• NSC Number: 8930
• UN Number: 2761
• DSSTox Substance ID: DTXSID3020679
• Nikkaji Number: J9.240A
• Wikipedia: Heptachlor
• Wikidata: Q417891
• Metabolomics Workbench ID: 55029
• ChEMBL ID: CHEMBL194400
• Mol file: 76-44-8.mol

Synonyms:Heptachlor

Chemical Property of Heptachlor

Chemical Property:

• Appearance/Colour: white crystalline solid
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 95 - 96 C
• Refractive Index: 1.5407 (estimate)
• Boiling Point: decomposes
• Flash Point: 11oC
• PSA: 0.00000
• Density: 1.57
• LogP: 5.24150
• Storage Temp.: APPROX 4°C
• Water Solubility.: 0.056 mg l-1 (25-29 °C)
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 371.818144
• Heavy Atom Count: 17
• Complexity: 467
• Transport DOT Label: Poison

Purity/Quality:

Heptachlor ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Toxic by ingestion, inhalation, and skin absorption; use has been restricted and discontinued except for termite control. TLV: 0.5 mg/m³; animal carcinogen.
• Hazard Codes: T,N,F,Xn
• Statements: 24/25-33-40-50/53-39/23/24/25-23/24/25-11-67-65-38-51/53
• Safety Statements: 36/37-45-60-61-62-16-7

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Organochlorine Pesticides
• Canonical SMILES: C1=CC(C2C1C3(C(=C(C2(C3(Cl)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 when dispersed, especially if powdered.
• Effects of Short Term Exposure: The substance may cause effects on the central nervous system.
• Effects of Long Term Exposure: The substance may have effects on the liver. This substance is possibly carcinogenic to humans.
• Description: Heptachlor is a soft, white to light tan, waxy, non-combustible, crystalline solid with a camphor-like odour. Heptachlor is a member of the cyclodiene group of chlorinated insecticides (aldrin, dieldrin, endrin, chlordane, heptachlor, and endosulfan) and has a long history following World War II. It was registered as a commercial pesticide in 1952 for foliar, soil, and structure applications and for malarial control programmes; after 1960, it was used primarily in soil applications against agricultural pests and to a lesser extent against termites. Heptachlor is available commercially as a dust, a dust concentrate, an emulsifiable concentrate, a wettable powder, or in oil solutions. It is corrosive to metals and reacts with iron and rust to form hydrogen chloride gas. Heptachlor is incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides but is stable under normal temperatures and pressures. It may burn, but does not ignite readily. Heptachlor at high heat and temperature produces highly toxic, corrosive fumes of hydrogen chlorine gas and toxic oxides of carbon. An important metabolite of heptachlor is heptachlor epoxide which is an oxidation product formed from heptachlor by many plant and animal species. Heptachlor is almost insoluble in water but soluble in ether, acetone, benzene, and many other organic solvents.
• Physical properties: Colorless to light tan, waxy or crystalline, nonflammable solid with a camphor-like odor
• Uses: Heptachlor is used for the control of termites, ants, household insects and soil insects. It is also applied as a seed treatment, soil treatment or directly to foliage. Insecticide for termite control. Formerly as insecticide for control of cotton boll weevil.

Technology Process of Heptachlor

There total 8 articles about Heptachlor 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:

→ heptachlor (76-44-8)

Guidance literature:

DOI:10.1016/0045-6535(72)90049-5

Reference yield:

(+/-)-4.5.6.7.8.8-hexachloro-(3arH.7acH)-3a.4.7.7a-tetrahydro-4c.7c-methano-indene (3734-48-3,13592-37-5,14487-72-0,23720-58-3,66429-29-6,66429-30-9,66429-31-0,102850-51-1) → heptachlor (76-44-8,22413-56-5,50895-56-2,68961-31-9,74867-72-4,74867-73-5)

Guidance literature:

With tetrachloromethane; sulfuryl dichloride; dibenzoyl peroxide;

Reference yield:

→ heptachlor (76-44-8,22413-56-5,50895-56-2,68961-31-9,74867-72-4,74867-73-5)

Guidance literature:

With thionyl chloride; benzene;

upstream raw materials:

(+/-)-4.5.6.7.8.8-hexachloro-(3arH.7acH)-3a.4.7.7a-tetrahydro-4c.7c-methano-indene

cyclopenta-1,3-diene

hexachlorocyclopentadiene

Downstream raw materials:

3-(p-tolyl)-chlordene

(1S,3aS,4S,7R,7aR)-4,5,6,7,8,8-Hexachloro-1-p-tolyl-3a,4,7,7a-tetrahydro-1H-4,7-methano-indene

(1S,3aS,4S,7R,7aR)-4,5,6,7,8,8-Hexachloro-1-(2,4-dichloro-phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methano-indene

3-(o-hydroxyphenyl)-chlordene

Refernces

• 1、 -. "Physical, chemical, and isotopic (atomic) labels". . . Retrieved 2008/06/13.