4-(Trichloromethyl)benzoyl chloride

Base Information

• Chemical Name: 4-(Trichloromethyl)benzoyl chloride
• CAS No.: 14815-86-2
• Molecular Formula: C8H4 Cl4 O
• Molecular Weight: 257.931
• Hs Code.: 2916399090
• European Community (EC) Number: 238-885-2
• NSC Number: 152024
• DSSTox Substance ID: DTXSID80163889
• Nikkaji Number: J28.752K
• Wikidata: Q83032875
• Mol file: 14815-86-2.mol

Synonyms:4-(Trichloromethyl)benzoyl chloride;14815-86-2;EINECS 238-885-2;Benzoyl chloride, 4-(trichloromethyl)-;p-trichloromethyl-benzoyl chloride;NSC152024;SCHEMBL104711;p-trichloromethylbenzoyl chloride;4-trichloromethylbenzoyl chloride;DTXSID80163889;p-(Trichloromethyl)benzoyl chloride;MFCD25460286;NSC 152024;NSC-152024

Chemical Property of 4-(Trichloromethyl)benzoyl chloride

Chemical Property:

• Vapor Pressure: 0.000624mmHg at 25°C
• Boiling Point: 309.8°Cat760mmHg
• Flash Point: 130.1°C
• PSA: 17.07000
• Density: 1.542g/cm³
• LogP: 3.89230
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 257.898675
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

99%, ^*data from raw suppliers

p-(Trichloromethyl)benzoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)Cl)C(Cl)(Cl)Cl
• Uses: p-(Trichloromethyl)benzoyl Chloride are used in the synthetic preparation of 4-dichloromethylbenzoyl and 4-trichloromethylbenzoyl chloride as potential antimalaria.

Technology Process of 4-(Trichloromethyl)benzoyl chloride

There total 8 articles about 4-(Trichloromethyl)benzoyl 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: 97.6%

p-Toluic acid (99-94-5) → 4-trichloromethylbenzoyl chloride (14815-86-2)

Guidance literature:

With phosphorus pentachloride; at 140 - 155 ℃;

Reference yield: 96.6%

4-methyl-benzoyl chloride (874-60-2) → 4-trichloromethylbenzoyl chloride (14815-86-2)

Guidance literature:

With sulfuric acid; chlorine; at 140 ℃; for 15h;

Reference yield: 90.0%

dilauryl peroxide (105-74-8) + 4-methyl-benzoyl chloride (874-60-2) → 4-trichloromethylbenzoyl chloride (14815-86-2)

Guidance literature:

In chlorine;

upstream raw materials:

1,4-bis(trichloromethyl)benzene

4-methyl-benzoyl chloride

4-trichloromethyl-benzoic acid

dilauryl peroxide

Downstream raw materials:

terephthalic acid

4-trichloromethyl-benzoic acid

4-trifluoromethyl-benzoyl fluoride

terephthaloyl chloride

Refernces

• 1、 -. "Synthesis method of o-trifluoromethyl methyl benzoate, m-trifluoromethyl methyl benzoate and p-trifluoromethyl methyl benzoate". Paragraph 0017. . Retrieved 2018/03/01.
• 2、 Korotkii,Alymova,Uspenskaya,Emel'yanov,Motsarev. "SOLUBILITY OF CHLORINE AND HYDROGEN CHLORIDE IN p-TOLUOYL CHLORIDE AND IN THE PRODUCTS OF ITS CHLORINATION IN THE SIDE CHAIN.". . p. 1095 - 1097. Retrieved 2007/10/02.