Chlorendic acid

Base Information

• Chemical Name: Chlorendic acid
• CAS No.: 115-28-6
• Deprecated CAS: 5343-97-5,7374-78-9,888949-13-1
• Molecular Formula: C9H4Cl6O4
• Molecular Weight: 388.846
• Hs Code.: 2917209090
• European Community (EC) Number: 204-078-9
• NSC Number: 41876,22231,519
• DSSTox Substance ID: DTXSID2020268
• Nikkaji Number: J40.560D
• Wikipedia: Chlorendic_acid
• Wikidata: Q1854296
• NCI Thesaurus Code: C44353
• ChEMBL ID: CHEMBL462314
• Mol file: 115-28-6.mol

Synonyms:chlorendic acid;chlorendic acid, (endo,endo)-isomer

Chemical Property of Chlorendic acid

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 3.37E-10mmHg at 25°C
• Melting Point: 239-242 °C
• Refractive Index: 1.658
• Boiling Point: 471.7 °C at 760 mmHg
• PKA: 1.26±0.70(Predicted)
• Flash Point: 239.1 °C
• PSA: 74.60000
• Density: 2 g/cm³
• LogP: 3.23350
• Storage Temp.: Amber Vial, -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 387.821125
• Heavy Atom Count: 19
• Complexity: 487

Purity/Quality:

99%min ^*data from raw suppliers

Hexachlorobicyclo[2.?2.1]?hept-?5-?ene-?2,?3-?dicarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 40-41
• Safety Statements: 53-22-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O
• Uses: Chlorendic acid is used as a flame retardant in polyurethane foams, resins, plasticizers, coatings, epoxy resins, and wool fabrics; in the manufacture of alkyl resins for special paints and inks; in the manufacture of polyester resins with special applications in electrical systems,paneling, engineering plastics, and paint; and in the manufacture of corrosion-resistant tanks, piping, and scrubbers. Chlorendic acid is also used as an extreme-pressure lubricant (NTP 1987, IARC 1990, IPCS 1996, HSDB 2009). Hexachlorobicyclo[2.?2.1]?hept-?5-?ene-?2,?3-?dicarboxylic Acid is a novel flame retardant (NFR) which has also been observed as a toxic and environmental pollutant. Chlorinated Reactive Flame Retardant IntermediateEnvironmental toxin on US EPA Toxic Release Inventory list (TRI) list.

Technology Process of Chlorendic acid

There total 2 articles about Chlorendic acid 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:

→ Chlorendic acid (115-28-6,7374-78-9)

Guidance literature:

Entspr. Anhydrid m. wss. NH3;

Reference yield:

→ trans-1,4,5,6,7,7-Hexachlor-bicyclo<2.2.1>hept-5-en-2,3-dicarbonsaeure (115-28-6,21678-54-6,26382-13-8,26623-59-6,7374-78-9)

Guidance literature:

Dimethylester, Alkali;

DOI:10.1016/S0040-4039(00)99771-5

Reference yield:

Chlorendic acid (115-28-6,7374-78-9) → 1,2,3,4,7,7-hexachloro-5,6-bis(hydroxymethyl)bicyclo<2.2.1>hept-2-ene (2157-19-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; Heating;

DOI:10.1007/BF00924776

Downstream raw materials:

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