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Trichloroacetyl chloride

Base Information Edit
  • Chemical Name:Trichloroacetyl chloride
  • CAS No.:76-02-8
  • Molecular Formula:C2Cl4O
  • Molecular Weight:181.833
  • Hs Code.:2914700090
  • European Community (EC) Number:200-926-7
  • NSC Number:190466
  • UN Number:2442
  • UNII:9SN86T76Y6
  • DSSTox Substance ID:DTXSID9034070
  • Nikkaji Number:J1.472I
  • Wikipedia:Trichloroacetyl_chloride
  • Wikidata:Q908780
  • ChEMBL ID:CHEMBL3186657
  • Mol file:76-02-8.mol
Trichloroacetyl chloride

Synonyms:trichloroacetyl chloride

Suppliers and Price of Trichloroacetyl chloride
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
Total 24 raw suppliers
Chemical Property of Trichloroacetyl chloride Edit
Chemical Property:
  • Appearance/Colour:clear to slightly yellow fuming liquid 
  • Vapor Pressure:17mmHg at 25°C 
  • Melting Point:-57 °C(lit.) 
  • Refractive Index:1.469 - 1.471 
  • Boiling Point:118 °C at 760 mmHg 
  • Flash Point:31 °C 
  • PSA:17.07000 
  • Density:1.744 g/cm3 
  • LogP:2.12200 
  • Water Solubility.:reacts violently 
  • XLogP3:2.6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Rotatable Bond Count:0
  • Exact Mass:181.867375
  • Heavy Atom Count:7
  • Complexity:82.2
  • Transport DOT Label:Corrosive Poison Inhalation Hazard
Purity/Quality:

99% *data from raw suppliers

Safty Information:
  • Pictogram(s): VeryT+,Toxic
  • Hazard Codes: T+:Very toxic;
     
  • Statements: R14:; R22:; R26:; R29:; R35:; 
  • Safety Statements: S23:; S26:; S28A:; S36/37/39:; S45:; S8:; 
MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:
  • Chemical Classes:Toxic Gases & Vapors -> Acid Halides
  • Canonical SMILES:C(=O)(C(Cl)(Cl)Cl)Cl
Technology Process of Trichloroacetyl chloride

There total 67 articles about Trichloroacetyl 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:
Guidance literature:
Irradiation (UV/VIS); with Cl2 sensibilized photochemical oxidn., 80 to 100°C;
Refernces Edit

Facile one-pot synthesis of S-alkyl thiocarbamates

10.1021/jo026813i

The study focuses on the facile one-pot synthesis of S-alkylthiocarbamates, a class of compounds that have significant biological effects and are useful as herbicides. The study introduces a novel two-step method utilizing trichloroacetyl chloride that is both simple and high-yielding, allowing the incorporation of a wide range of substituents. The process design is simple and uses commercially available reagents, avoiding the use of toxic substances and gaseous reagents. The chemicals used in the synthesis include trichloroacetyl chloride, various thiols (such as alkanethiols, benzyl mercaptan, and benzenethiol), and different amines (including ammonium hydroxide, primary amines, and secondary amines). The conclusions drawn from the study highlight the versatility and efficiency of the method, allowing the production of a range of thiocarbamates in high yields simply by changing the amine used in the reaction. The study also explored alternative routes and found that the traditional order of reagent addition was more successful, although it had certain limitations.

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