21484-04-8

Basic information

• Product Name: (3Z)-1,1,2,3,4-pentachlorobuta-1,3-diene
• CAS NO: 21484-04-8
• Molecular Formula: C₄HCl₅
• Molecular Weight: 226.317
• Mol File: 21484-04-8.mol

Chemical Properties

• Boiling Point: 222.2°Cat760mmHg
• Flash Point: 90.2°C
• Density: 1.638g/cm³
• CAS DataBase Reference: (3Z)-1,1,2,3,4-pentachlorobuta-1,3-diene(CAS DataBase Reference)
• NIST Chemistry Reference: (3Z)-1,1,2,3,4-pentachlorobuta-1,3-diene(21484-04-8)
• EPA Substance Registry System: (3Z)-1,1,2,3,4-pentachlorobuta-1,3-diene(21484-04-8)

Safety Data

• Hazardous Substances Data: 21484-04-8(Hazardous Substances Data)

Upstream product

• 79-01-6 Trichloroethylene 
• 921-09-5 1,1,2,3-tetrachloro-1,3-butadiene 
• 87-68-3 Hexachlorobutadiene 

Downstream Products

• 87-68-3 Hexachlorobutadiene 
• 133828-75-8 1-nitropentachloro-1,3-butadiene 
• 153083-94-4 1,1,4,4,4-pentafluoro-1,2-dichlorobutane 
• 400-43-1 2-chloro-1,1,1,4,4,4-hexafluorobutane 

Relevant articles and documents

NOVEL PRODUCTS IN THE CO2-LASER INDUCED REACTION OF TRICHLOROETHYLENE

Previous report on the thermal or CO2-laser induced decomposition of trichloroethylene have identified only one condensable product, hexachlorobenzene (in addition to HCl and mono- and dichloroacetylene).We have found that trichloroethylene vapor exposed to cw irradiation on the P(24) line of the (001-100) band of the CO2 laser at incident power levels from 8-17 W procedures numerous products, of which the 13 major ones have been identified using IR, GC/MS, GC/FTIR, and NMR methods.All of these products have 4, 6, or 8 carbons, are highly unsaturated, and are completely chlorinated or contain a single hydrogen.C4HCl5 and C6Cl6 isomers (three of each) account for ca. 55percent to 85percent of total products (based on peak area in the total ion chromatograms in GC/MS runs), depending on reaction conditions.In addition to characterizing the products, we discuss the dependence of the product distribution on laser power, irradiation time, and cell geometry, and we outline a possible mechanism.

Comparison of Reductive Dechlorination of Hexachloro-1,3-butadiene in Rhine Sediment and Model Systems with Hydroxocobalamin

Transformations of hexachloro-1,3-butadiene were studied in columns packed with Rhine River sediment and in batch incubations containing titanium(III) citrate and hydroxocobalamin. Columns were operated under various redox conditions. Transformation was observed in a methanogenic column at influent concentrations of 4 and 400 nmol/L but not in columns where oxygen or nitrate were fed as terminal electron acceptors. Hexachloro-1,3-butadiene was reductively dechlorinated to (E,E)-1,2,3,4-tetrachlorobutadiene (> 90 percent) and traces of a trichloro-1,3-butadiene isomer ( 5 percent). (E)-1,1,2,3,4-Pentachloro-1,3-butadiene was detected as intermediary product. Reductive dechlorination in the column was ascribed to the activity of anaerobic microorganisms. In the batch experiments with titanium(III) citrate and hydroxocobalamin, hexachloro-1,3-butadiene (5 and 500 μmol/L) was transformed to an isomer of pentachloro-1,3-butadiene and two compounds with molar masses of 154 and 52, tentatively identified as trichloro-1-buten-3-yn, and 1-buten-3-yn respectively.

THE CHEMISTRY OF DIENES AND THEIR DERIVATIVES. XXII. LIQUID-PHASE LOW-TEMPERATURE CHLORINATION OF POLYCHLORO DERIVATIVES OF BUTADIENE IN THE PRESENCE OF AN INHIBITOR OF RADICAL REACTIONS

During liquid-phase chlorination in the presence of tert-butylpyrocatechol the polychloro derivatives of butadiene (1,1,2- and 1,2,3-trichloro-1,3-butadiene and 1,1,2,3-tetrachloro-1,3-butadiene) react with chlorine only at the vinyl and chlorovinyl group respectively, forming addition products and a considerable amount of the products from substitution of hydrogen in the methylene groups.