2,2,2-Trichloro-1,1-dimethylethyl salicylate

Base Information

• Chemical Name: 2,2,2-Trichloro-1,1-dimethylethyl salicylate
• CAS No.: 94006-13-0
• Molecular Formula: C11H11 Cl3 O3
• Molecular Weight: 297.566
• Hs Code.: 2918230000
• European Community (EC) Number: 301-349-4
• UNII: T8J4F49DSL
• DSSTox Substance ID: DTXSID40240206
• Nikkaji Number: J367.888A
• Wikidata: Q83122943
• Mol file: 94006-13-0.mol

Synonyms:94006-13-0;2,2,2-Trichloro-1,1-dimethylethyl salicylate;T8J4F49DSL;EINECS 301-349-4;UNII-T8J4F49DSL;DTXSID40240206;JMBYJYPJYHTGKC-UHFFFAOYSA-N;AKOS003349401;NS00039883;1,1,1-TRICHLORO-2-METHYLPROPAN-2-YL 2-HYDROXYBENZOATE;2,2,2-TRICHLORO-1,1-DIMETHYLETHYL 2-HYDROXYBENZOATE;Benzoicacid,2-hydroxy-,2,2,2-trichloro-1,1-dimethylethyl ester

Chemical Property of 2,2,2-Trichloro-1,1-dimethylethyl salicylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 351.5°Cat760mmHg
• Flash Point: 166.4°C
• PSA: 46.53000
• Density: 1.42g/cm³
• LogP: 3.69780
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 295.977377
• Heavy Atom Count: 17
• Complexity: 286

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(Cl)(Cl)Cl)OC(=O)C1=CC=CC=C1O

Technology Process of 2,2,2-Trichloro-1,1-dimethylethyl salicylate

There total 1 articles about 2,2,2-Trichloro-1,1-dimethylethyl salicylate 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:

1,1,1-trichloro-2-methyl-2-propanol (57-15-8) + salicyloyl chloride (1441-87-8) → salicylic acid-(2,2,2-trichloro-1,1-dimethyl-ethyl ester) (94006-13-0)

Guidance literature:

at 120 - 140 ℃;

Reference yield:

salicylic acid-(2,2,2-trichloro-1,1-dimethyl-ethyl ester) (94006-13-0) + acetic anhydride (108-24-7) → 2-acetoxy-benzoic acid-(2,2,2-trichloro-1,1-dimethyl-ethyl ester)

Guidance literature:

With sodium acetate; at 160 - 180 ℃;

Reference yield:

salicylic acid-(2,2,2-trichloro-1,1-dimethyl-ethyl ester) (94006-13-0) + propionic acid anhydride (123-62-6) → 2-propionyloxy-benzoic acid-(2,2,2-trichloro-1,1-dimethyl-ethyl ester)

Guidance literature:

With sodium acetate; at 180 ℃;

upstream raw materials:

1,1,1-trichloro-2-methyl-2-propanol

salicyloyl chloride

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