3,5-Bis(trifluoromethyl)benzoyl chloride

Base Information

• Chemical Name: 3,5-Bis(trifluoromethyl)benzoyl chloride
• CAS No.: 785-56-8
• Molecular Formula: C9H3ClF6O
• Molecular Weight: 276.566
• Hs Code.: 2942000000
• European Community (EC) Number: 212-322-0
• DSSTox Substance ID: DTXSID30229126
• Nikkaji Number: J193.176H
• Wikidata: Q72447220
• Mol file: 785-56-8.mol

Synonyms:3,5-Bis(trifluoromethyl)benzoyl chloride;785-56-8;3,5-bis(trifluoromethyl)benzoylchloride;3,5-bis-trifluoromethylbenzoyl chloride;MFCD00000387;Benzoyl chloride, 3,5-bis(trifluoromethyl)-;3,5-di(Trifluoromethyl)benzoyl chloride;EINECS 212-322-0;3,5-bis-(trifluoromethyl)benzoyl chloride;3,5-Bis(Trifluoromethyl)Benzoychloride;C9H3ClF6O;SCHEMBL322157;C9-H3-Cl-F6-O;WAKMMQSMEDJRRI-UHFFFAOYSA-;AMY8721;DTXSID30229126;STR04378;3,5-bis-trifluoromethylbenzoylchloride;3,5-bistrifluoromethyl benzoylchloride;3,5-bistrifluoromethylbenzoyl chloride;AKOS005259939;3,5 di(trifluormethyl)benzoyl chloride;3,5-bistrifluoromethyl benzoyl chloride;3,5-bistrifluoromethyl-benzoyl chloride;3,5-Bis-trifluoromethyl-benzoyl chloride;3,5-bis trifluoro methyl benzoyl chloride;3,5-bis(trifluoro-methyl)benzoyl chloride;3,5-bis(trifluoromethyl) benzoyl chloride;3,5-bis(trifluoromethyl)-benzoyl chloride;B2000;FT-0614459;FT-0623057;5-(AMINOMETHYL)FLUORESCEINHYDROCHLORIDE;3,5-Bis(trifluoromethyl)benzoyl chloride, 97%;W-104275;F2190-0084

Chemical Property of 3,5-Bis(trifluoromethyl)benzoyl chloride

Chemical Property:

• Appearance/Colour: clear colorless to very slightly yellow liquid
• Vapor Pressure: 0.0865mmHg at 25°C
• Melting Point: 41760oC
• Refractive Index: n20/D 1.435(lit.)
• Boiling Point: 194.3 °C at 760 mmHg
• Flash Point: 72.2 °C
• PSA: 17.07000
• Density: 1.526 g/cm³
• LogP: 4.10320
• Sensitive.: Moisture Sensitive
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 275.9776614
• Heavy Atom Count: 17
• Complexity: 275

Purity/Quality:

99% ^*data from raw suppliers

3,5-Bis(trifluoromethyl)benzoyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-37-36
• Safety Statements: 26-36/37/39-45-27

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)Cl
• Uses: 3,5-Bis(trifluoromethyl)benzoyl chloride was used in the quantitative and selective assay for the measurement of low levels of clonidine in human plasma.

Technology Process of 3,5-Bis(trifluoromethyl)benzoyl chloride

There total 6 articles about 3,5-Bis(trifluoromethyl)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: 100.0%

3,5-bistrifluoromethylbenzoic acid (725-89-3) → 3,5-bis(trifluoromethyl)phenyl carboxylic acid chloride (785-56-8)

Guidance literature:

With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 0 ℃; for 1h;

Reference yield:

3,5-bis(trifluoromethyl)benzoyl fluoride (401-96-7) → 3,5-bis(trifluoromethyl)phenyl carboxylic acid chloride (785-56-8)

Guidance literature:

With tetrachlorosilane; triphenylphosphine; aluminium trichloride;

Reference yield:

N-(5-amino-2-methylphenyl)-5-(3-pyridyl)-2-pyrimidinamine (1026194-04-6) + 3,5-bistrifluoromethylbenzoic acid (725-89-3) → 3,5-bis(trifluoromethyl)phenyl carboxylic acid chloride (785-56-8)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In chloroform; at 20 ℃; for 1h; Product distribution / selectivity; Reflux;

upstream raw materials:

3,5-bistrifluoromethylbenzoic acid

1,3-bis(trifluoromethyl)benzene

3,6-bis(trifluoromethyl)bromobenzene

3,5-bis(trifluoromethyl)benzoyl fluoride

Downstream raw materials:

3,5-bis(trifluoromethyl)phenyl n-butyl ketone

3,5-bis(trifluoromethyl)phenyl methyl ketone

Di-<3.5-bis-trifluormethyl-benzoyl>-peroxyd

3,5-Di-(trifluormethyl)-benzoesaeure-N-methyl-N-<2-dimethylamino-ethyl>-amid

Refernces

• 1、 Brauer, Jan,Quraishi, Elisabeth,Kammer, Lisa Marie,Opatz, Till. "Nickel-Mediated Photoreductive Cross Coupling of Carboxylic Acid Derivatives for Ketone Synthesis**". supporting information. p. 18168 - 18174. Retrieved 2021/11/30.
• 2、 Williamson, Jill B.,Na, Christina G.,Johnson, Robert R.,Daniel, William F. M.,Alexanian, Erik J.,Leibfarth, Frank A.. "Chemo- and Regioselective Functionalization of Isotactic Polypropylene: A Mechanistic and Structure-Property Study". supporting information. p. 12815 - 12823. Retrieved 2019/08/20.