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1,1,1,3,3-Pentachlorobutane is a chemical compound with the formula C4H7Cl5. It is a chlorinated derivative of butane, characterized by the presence of five chlorine atoms. This organic substance falls under the category of Haloalkanes and Haloarenes. Due to the limited information available on its physical and chemical properties or applications, it is likely not a widely used or studied compound. As with other chlorinated hydrocarbons, standard safety measures should be applied when handling 1,1,1,3,3-pentachlorobutane, considering their potential toxicity and environmental harm.

21981-33-9

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21981-33-9 Usage

Uses

Given the limited information available on 1,1,1,3,3-pentachlorobutane, it is difficult to provide a comprehensive list of its applications. However, based on the general properties of chlorinated hydrocarbons, it can be inferred that 1,1,1,3,3-pentachlorobutane may have potential uses in the following areas:
Used in Chemical Synthesis:
1,1,1,3,3-Pentachlorobutane may be used as an intermediate or reagent in the synthesis of other chemical compounds, particularly those requiring chlorinated building blocks.
Used in Industrial Processes:
In certain industries, 1,1,1,3,3-pentachlorobutane could be utilized as a solvent or in processes involving the formation of specific chemical bonds or reactions.
Used in Research and Development:
Due to its unique structure, 1,1,1,3,3-pentachlorobutane may be of interest to researchers studying the properties and reactivity of chlorinated hydrocarbons, as well as their potential applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 21981-33-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,1,9,8 and 1 respectively; the second part has 2 digits, 3 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 21981-33:
(7*2)+(6*1)+(5*9)+(4*8)+(3*1)+(2*3)+(1*3)=109
109 % 10 = 9
So 21981-33-9 is a valid CAS Registry Number.
InChI:InChI=1/C4H5Cl5/c1-3(5,6)2-4(7,8)9/h2H2,1H3

21981-33-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,1,1,3,3-pentachlorobutane

1.2 Other means of identification

Product number -
Other names EINECS 244-691-9

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:21981-33-9 SDS

21981-33-9Relevant academic research and scientific papers

Method for preparing 1,1,1,3,3-pentachlorobutane

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Paragraph 0028; 0029; 0040, (2016/12/01)

The invention discloses a method for preparing 1,1,1,3,3-pentachlorobutane. According to the method, carbon tetrachloride and 2-chloropropene have a telomerization reaction through a telomerization catalyst to prepare 1,1,1,3,3-pentachlorobutane, wherein the reaction temperature ranges from 25 DEG C to 100 DEG C, and the reaction time ranges from 0.5 h to 5 h. The telomerization catalyst is prepared from a main catalyst, an auxiliary catalyst and an organic active agent, wherein halogenated copper salt or halogenated iron salt serves as the main catalyst, alkyl phosphate or diisopropyl phosphate or organic tertiary amine serves as the auxiliary catalyst, azodiisobutyronitrile, 2,2-azobis(4-methoxy-2,4-dimethylvaleronitrile), 1,1-azo-Biscyclohexanecarbonitrile, ascorbic acid, 2,3,4,5,6-5-hydroxy aldehyde, phenylhydrazine or metoxyphenol serves as the organic active agent, and the molar ratio of the main catalyst to the auxiliary catalyst to the organic active agent is 1:(0.5-20):(0.1-20). The telomerization catalyst has the advantages of being mild in reaction conditions and stable in air and can be used for catalyzing the telomerization reaction between carbon tetrachloride and 2-chloropropene to prepare 1,1,1,3,3-pentachlorobutane.

PROCESS FOR PREPARATION OF 1,1,1,3,3-PENTACHLOROBUTANE

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Page/Page column 4, (2009/08/14)

A process for preparation of 1,1,1,3,3-pentachlorobutane comprises reacting carbon tetrachloride and 2-chloropropene, in which the catalyst includes main catalyst and co-catalyst. The said main catalyst is one or more catalysts selected from the group consisting of Fe (II) salt, Fe or Fe (III) salt, co-catalyst is one or more catalysts selected from the group consisting of alkyl phosphites, alkyl phosphates or aryl phosphates. The said process has high yield and selectivity, and the catalyst is conveniently separated from the product.

PROCESS FOR THE PREPARATION OF HALOGENATED HYDROCARBONS WITH AT LEAST 3 CARBON ATOMS

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Page/Page column 16, (2008/06/13)

A telomerisation process is described wherein a halocarbon is added to olefins like 2-chloroprop-1-ene in the presence of ionic liquids and/or compounds having at least two nitrogen atoms at least one of which is tricordinated and at least one of which is tetracoordinated. The reaction products, e.g. 1,1,3,3-tetrachloro-1-fluorobutane, can be further fluorinated.

PROCESS FOR THE PREPARATION OF HALOGENATED HYDROCARBONS WITH AT LEAST 3 CARBON ATOMS IN THE PRESENCE OF A RUTHENIUM COMPOUND

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Page/Page column 6, (2008/06/13)

A telomerisation process is described whereby haloalkanes like tetrachloromethane are added to halogensubstituted olefins like 2-chloroprop-1- ene in the presence of a Ru catalyst. The reaction products, e.g. 1,1,1,3,3-pentachlorobutane, can be fluorinated.

Process for the preparation of halogenated hydrocarbons with at least 3 carbon atoms in the presence of Iron and a phosphite

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Page/Page column 3, (2008/06/13)

A telomerisation process is described whereby haloalkanes like tetrachloromethane are added to halogenated olefins like 2-chloroprop-1-ene in the presence of an iron catalyst and a phosphite. The reaction products, e.g. 1,1,1,3,3-pentachlorobutane, can be fluorinated.

Process for preparing halohydrocarbons

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Page column 4, 5, (2008/06/13)

Halohydrocarbons containing at least 3 carbon atoms are obtained by reaction between a haloalkane and an olefin in the presence of a catalyst in a reaction medium which is essentially free of water.

Carbonyl ylides and carbenes from thermolysis of oxadiazolines. Substituent effects on intramolecular and intermolecular reactions of carbonyl ylides

Bekhazi, Michel,Warkentin, John

, p. 619 - 624 (2007/10/02)

Thermolysis of a 2-methoxy-Δ3-1,3,4-oxadiazoline involves loss of N2 with formation of carbonyl ylide.The fate of the carbonyl ylide depends on its enviroment and on the other substituents present.Thus, the ylides from 2-methoxy-2,5,5-trimethyl-Δ3-1,3,4-oxadiazoline (1) and from 2-methoxy-2-(4-methoxyphenyl)-5,5-dimethyl-Δ3-1,3,4-oxadiazoline (2) are trapped very efficiently by methanol.However, the ylide from 1 is trapped much less efficiently than that from 2 by dimethylacetylene dicarboxylate, cis-1,2-dichloroethylene, or norbornadiene.A major competitive process in the case of 1 is fragmentation of the ylide to carbonyl compounds and carbenes, the latter being trapped by alkenes to form cyclopropanes.An intramolecular 1,4-H transfer is also competitive under some conditions.The ylide from 2 does not appear to fragment, nor does it undergo the 1,4-H transfer, but it cyclizes efficiently to the oxirane in the absence of trapping agents.Preliminary estimates of rate constants for cyclization of ylide from 2 to form the oxirane (kcycl31 deg C = 1.3*1E-6 s-1) and for its additions to norbornadiene and to dimethylacetylene dicarboxylate (1*1E-5 M-1s-1 and 1*1E-9 M-1s-1, respectively are reported.If it is assumed that the ylide from 1 would add to dimethylacetylene dicarboxylate with a similar rate constant, then the yield for that process can be used to place a lower limit of 1010s-1 on the rate constant for fragmentation of that ylide at 31 deg C.

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