22227-26-5

Basic information

• Product Name: 3,5-Di(trifluoromethyl)benzamide
• Synonyms: Benzamide, 3,5-bis(trifluoromethyl)-;3,5-DI(TRIFLUOROMETHYL)BENZAMIDE;3,5-BIS(TRIFLUOROMETHYL)BENZAMIDE;MBT-BAM;3,5-Bis(trifiuoromethyl)benzamide;3,5-Bis(trifluoromethyl)benzamide, 97+%;3,5-Bis(trifluoromethyl)benzamide 97%
• CAS NO: 22227-26-5
• Molecular Formula: C₉H₅F₆NO
• Molecular Weight: 257.13
• EINECS: 244-849-7
• Product Categories: Amides;Carbonyl Compounds;Organic Building Blocks;Building Blocks;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks
• Mol File: 22227-26-5.mol
• Article Data: 8

Chemical Properties

• Melting Point: 163-167 °C(lit.)
• Boiling Point: 193.3 °C at 760 mmHg
• Flash Point: 70.7 °C
• Appearance: /
• Density: 1.468 g/cm³
• Vapor Pressure: 0.468mmHg at 25°C
• Refractive Index: 1.428
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 14.62±0.50(Predicted)
• BRN: 4734142
• CAS DataBase Reference: 3,5-Di(trifluoromethyl)benzamide(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-Di(trifluoromethyl)benzamide(22227-26-5)
• EPA Substance Registry System: 3,5-Di(trifluoromethyl)benzamide(22227-26-5)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 22-26-36/37/39
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 22227-26-5(Hazardous Substances Data)

Usage

General Description

3,5-Di(trifluoromethyl)benzamide is a chemical compound with the molecular formula C9H6F6NO. It is a white solid that is used in organic synthesis and drug discovery research. 3,5-Di(trifluoromethyl)benzamide has two trifluoromethyl groups attached to a benzene ring, and an amide functional group. 3,5-Di(trifluoromethyl)benzamide is known to have high thermal stability and is used as a building block in the synthesis of pharmaceuticals and agrochemicals. It is also used in the development of fluorine-containing materials with various industrial applications.

InChI:InChI=1/C9H5F6NO/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H2,16,17)

Upstream product

• 401-96-7 3,5-bis(trifluoromethyl)benzoyl fluoride 
• 785-56-8 3,5-bis(trifluoromethyl)phenyl carboxylic acid chloride 
• 328-70-1 3,6-bis(trifluoromethyl)bromobenzene 
• 725-89-3 3,5-bistrifluoromethylbenzoic acid 
• 1244040-09-2 N-isopropyl-3,5-bis(trifluoromethyl)benzamide 
• 27126-93-8 3,5-bis(trifluoromethyl)benzonitrile 
• 110-54-3 hexane 
• 7688-25-7 1,4-di(diphenylphosphino)-butane 

Downstream Products

• 1333154-10-1 3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazole 
• 1642300-78-4 (E)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-2-(pyrimidin-5-yl)acrylamide 
• 27126-93-8 3,5-bis(trifluoromethyl)benzonitrile 
• 42365-62-8 [3,5-bis(trifluoromethyl)phenyl]methanamine hydrochloride 
• 1201444-81-6 5-(3,5-bis(trifluoromethyl)phenyl)-3-phenyl-1,2,4-oxadiazole 

Relevant articles and documents

Hydrosilylative reduction of primary amides to primary amines catalyzed by a terminal [Ni-OH] complex

A terminal [Ni-OH] complex1, supported by triflamide-functionalized NHC ligands, catalyzes the hydrosilylative reduction of a range of primary amides into primary amines in good to excellent yields under base-free conditions with key functional group tolerance. Catalyst1is also effective for the reduction of a variety of tertiary and secondary amides. In contrast to literature reports, the reactivity of1towards amide reduction follows an inverse trend,i.e., 1° amide > 3° amide > 2° amide. The reaction does not follow a usual dehydration pathway.

Identifying Amidyl Radicals for Intermolecular C-H Functionalizations

Recent studies have demonstrated the capabilities of amidyl radicals to facilitate a range of intermolecular functionalizations of unactivated, aliphatic C-H bonds. Relatively little information is known regarding the important structural and electronic features of amidyl and related radicals that impart efficient reactivity. Herein, we evaluate a diverse range of nitrogen-centered radicals in unactivated, aliphatic C-H chlorinations. These studies establish the salient features of nitrogen-centered radicals critical to these reactions in order to expedite the future development of new site-selective, intermolecular C-H functionalizations.

A state-of-the-art cyanation of aryl bromides: A novel and versatile copper catalyst system inspired by nature

A general protocol for the cyanation of aryl halides with the nontoxic cyanide source K4[Fe(CN)6] using copper catalysis and a ligand system based on 1-alkylimidazoles is presented. The advantages of this system are the high selectivity, a unique substrate range, easy handling, and inexpensive reagents.