36823-88-8

Basic information

• Product Name: 4-(TRIFLUOROMETHOXY)BENZOYL CHLORIDE
• Synonyms: P-TRIFLUOROMETHOXYBENZOYL CHLORIDE;TIMTEC-BB SBB006550;4-(TRIFLUOROMETHOXY)BENZENE-1-CARBONYL CHLORIDE;4-(TRIFLUOROMETHOXY)BENZOYL CHLORIDE;4-(TRIFLUOROMETHOXY)BENZOYL CHLORIDE, 98 %;4-(Trifluoromethoxy)benzoyl chloride 98%;[4-(trifluoroMethoxy)phenyl]carbonylchloranuide;4-(TrifluoroMethoxy)benzoyl chloride, 98% 1GR
• CAS NO: 36823-88-8
• Molecular Formula: C₈H₄ClF₃O₂
• Molecular Weight: 224.56
• EINECS: -0
• Product Categories: Acid Halides;Carbonyl Compounds;Organic Building Blocks
• Mol File: 36823-88-8.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 55-56 °C2 mm Hg(lit.)
• Flash Point: 90 °F
• Appearance: Clear colorless to pink/Liquid
• Density: 1.425 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.472(lit.)
• Storage Temp.: Flammables area
• Sensitive: Moisture Sensitive
• BRN: 2723543
• CAS DataBase Reference: 4-(TRIFLUOROMETHOXY)BENZOYL CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(TRIFLUOROMETHOXY)BENZOYL CHLORIDE(36823-88-8)
• EPA Substance Registry System: 4-(TRIFLUOROMETHOXY)BENZOYL CHLORIDE(36823-88-8)

Safety Data

• Hazard Codes: C
• Statements: 10-34
• Safety Statements: 26-36/37/39-45
• RIDADR: UN 2920 8/PG 2
• WGK Germany: 3
• F: 21
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 36823-88-8(Hazardous Substances Data)

Usage

Description

4-(Trifluoromethoxy)benzoyl chloride, also known as 4-(Trifluoromethoxy)-1-benzenecarbonyl chloride, 4-(Chlorocarbonyl)-α,α,α-trifluoroanisole, or 4-(Chloroformyl)-α,α,α-trifluoroanisole, is a clear, colorless to pink liquid. It is an organic building block with reported density and refractive index values, making it a versatile compound in the field of organic chemistry.

Uses

Used in Pharmaceutical Industry:
4-(Trifluoromethoxy)benzoyl chloride is used as a synthetic intermediate for the development of various pharmaceutical compounds. Its unique trifluoromethoxy and benzoyl chloride functional groups allow for the creation of a wide range of drug candidates with potential applications in treating different medical conditions.
Used in Chemical Synthesis:
In the field of chemical synthesis, 4-(Trifluoromethoxy)benzoyl chloride serves as a key building block for the synthesis of complex organic molecules. Its reactivity and stability make it a valuable component in the development of new materials and compounds with diverse applications.
Used in Material Science:
4-(Trifluoromethoxy)benzoyl chloride is used as a precursor in the development of advanced materials with specific properties. Its incorporation into polymers and other materials can lead to enhanced performance characteristics, such as improved thermal stability, chemical resistance, or mechanical strength.
Used in Agrochemical Industry:
In the agrochemical industry, 4-(Trifluoromethoxy)benzoyl chloride is utilized as a starting material for the synthesis of various pesticides and agrochemicals. Its unique structure contributes to the development of effective compounds for crop protection and management of pests and diseases in agriculture.

InChI:InChI=1/C6H15O.BF4/c1-4-7(5-2)6-3;2-1(3,4)5/h4-6H2,1-3H3;/q+1;-1

Upstream product

• 330-12-1 4-trifluoromethoxybenzoic acid 
• 407-14-7 1-bromo-4-(trifluoromethoxy)benzene 
• 141-75-3 butyryl chloride 
• 780-31-4 methyl 4-(trifluoromethoxy)benzoate 

Downstream Products

• 27914-35-8 C₂₂H₂₂F₆N₂O₄ 
• 27914-62-1 C₂₀H₁₈F₆N₂O₄Se₂ 
• 27914-42-7 C₂₂H₂₂F₆N₂O₅ 
• 27914-41-6 C₂₃H₂₅F₆N₃O₄ 
• 27890-79-5 C₂₅H₂₈F₆N₂O₄ 
• 27890-82-0 C₂₆H₃₀F₆N₂O₄ 
• 27890-96-6 C₂₇H₃₂F₆N₂O₄ 
• 27890-94-4 C₂₈H₃₄F₆N₂O₄ 
• 28031-27-8 C₂₅H₂₈F₆N₂O₄ 
• 27914-39-2 C₂₅H₂₈F₆N₂O₄ 
• 36823-46-8 C₂₅H₂₈F₆N₂O₄ 
• 27914-67-6 C₂₆H₃₀F₆N₂O₄ 
• 28282-15-7 C₂₄H₂₄F₆N₂O₄ 
• 27914-61-0 C₂₀H₁₈F₆N₂O₄S₂ 

Relevant articles and documents

3-(3'-hydroxybutyl) isobenzofuran-1(3H)-ketone derivative as well as composition, preparation method and application thereof

The invention belongs to the field of medicines, and particularly relates to a 3-(3-hydroxybutyl) isobenzofuran-1(3H)-ketone derivative as well as a composition, a preparation method and application thereof, and the derivative is a compound with a structu

Identification and optimization of 3-bromo-N’-(4-hydroxybenzylidene)-4-methylbenzohydrazide derivatives as mTOR inhibitors that induce autophagic cell death and apoptosis in triple-negative breast cancer

Triple negative breast cancer (TNBC) has a worse prognosis than other types of breast cancer due to its special biological behavior and clinicopathological characteristics. TNBC cell proliferation and progression to metastasis can be suppressed by inducing cytostatic autophagy. mTOR is closely related to autophagy and is involved in protein synthesis, nutrient metabolism and activating mTOR promotes tumor growth and metastasis. In this paper, we adopted the strategy of structure simplification, aimed to look for novel small-molecule inhibitors of mTOR by pharmacophore-based virtual screening and biological activity determination. We found a lead compound with 3-bromo-N’-(4-hydroxybenzylidene)-4-methylbenzohydrazide for rational drug design and structural modification, then studied its structure-activity relationship. After that, compound 7c with the best TNBC cells inhibitory activities and superior mTOR enzyme inhibitory activity was obtained. In addition, we found that compound 7c could induce autophagic cell death and apoptosis in MDA-MB-231 and MDA-MB-468 cell lines. In conclusion, these findings provide new clues for our 3-bromo-N’-(4-hydroxybenzylidene)-4-methylbenzohydrazide derivatives, which are expected to become drug candidates for the treatment of TNBC in the future.

Rhenium-Catalyzed Phthalide Synthesis from Benzamides and Aldehydes via C-H Bond Activation

The [4 + 1] annulation of benzamides and aldehydes for phthalide synthesis was achieved via rhenium-catalyzed C-H activation, which demonstrates an unprecedented reaction pattern distinct from those of other transition-metal catalyses. The reaction also features readily available starting materials, a wide scope for both electro-rich and electro-deficient substrates, and the elimination of homoannulation byproducts.