2,4,4,4-Tetrachlorobutyryl chloride

Base Information

• Chemical Name: 2,4,4,4-Tetrachlorobutyryl chloride
• CAS No.: 68121-36-8
• Molecular Formula: C4H3Cl5O
• Molecular Weight: 244.332
• European Community (EC) Number: 268-527-0
• DSSTox Substance ID: DTXSID90987593
• Nikkaji Number: J317.332A
• Mol file: 68121-36-8.mol

Synonyms:2,4,4,4-Tetrachlorobutyryl chloride;68121-36-8;EINECS 268-527-0;2,4,4,4-tetrachlorobutyric acid chloride;Butanoyl chloride, 2,4,4,4-tetrachloro-;2,4,4,4-tetrachlorobutanoyl chloride;C4H3Cl5O;C4-H3-Cl5-O;SCHEMBL11029582;DTXSID90987593;KRNCRUFKDXQLJZ-UHFFFAOYSA-N

Chemical Property of 2,4,4,4-Tetrachlorobutyryl chloride

Chemical Property:

• Vapor Pressure: 0.0104mmHg at 25°C
• Boiling Point: 263.2°C at 760 mmHg
• Flash Point: 108.7°C
• PSA: 17.07000
• Density: 1.639g/cm³
• LogP: 3.11950
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 243.859703
• Heavy Atom Count: 10
• Complexity: 128

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(=O)Cl)Cl)C(Cl)(Cl)Cl

Technology Process of 2,4,4,4-Tetrachlorobutyryl chloride

There total 9 articles about 2,4,4,4-Tetrachlorobutyryl chloride 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: 91.0%

acide tetrachloro-2,4,4,4 butanoique (4387-77-3,66531-27-9,66531-29-1) → 2,4,4,4-tetrachlorobutyric acid chloride (68121-36-8)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; at 80 - 90 ℃;

DOI:10.1007/BF00960326

Reference yield: 76.0%

tetrachloromethane (56-23-5) + acryloyl chloride (814-68-6,25189-84-8) → 2,4,4,4-tetrachlorobutyric acid chloride (68121-36-8)

Guidance literature:

copper(I) chloride; In acetonitrile; at 115 ℃; for 24h;

DOI:10.1002/hlca.19800630722

Reference yield: 51.0%

dichloroacethyl chloride (79-36-7) + 1,1-Dichloroethylene (75-35-4,9002-85-1) → 2,4,4,4-tetrachlorobutyric acid chloride (68121-36-8)

Guidance literature:

copper(I) chloride; In acetonitrile; at 120 ℃; for 30h;

DOI:10.1002/hlca.19800630722

upstream raw materials:

acide tetrachloro-2,4,4,4 butanoique

dichloroacethyl chloride

1,1-Dichloroethylene

tetrachloromethane

Downstream raw materials:

2-chloro-2-(2',2',2'-trichloroethyl)-3,3-dimethylcyclobutan-1-one

2,4,4,4-tetrachloro-butyric acid anilide

Refernces

• 1、 -. "Dichlorovinylcyclobutanones, processes for preparing them, and their use as intermediates for producing pesticidal compositions". . . Retrieved 2008/06/13.
• 2、 Martin, Pierre,Steiner, Eginhard,Bellus, Daniel. "Synthesis of Polyhalogenated Butyryl Chlorides, Precursors of Pyrethroid Haloketenes". . p. 1947 - 1957. Retrieved 2007/10/02.