368-83-2

Basic information

• Product Name: 3-(TRIFLUOROMETHYL)BENZALDOXIME
• Synonyms: 3-(TRIFLUOROMETHYL)BENZALDEHYDE OXIME;3-(TRIFLUOROMETHYL)BENZALDOXIME;BUTTPARK 52\04-65;3-(Trifluoromethyl)benzaldoxime 97%;3-(Trifluoromethyl)benzaldoxime97%
• CAS NO: 368-83-2
• Molecular Formula: C₈H₆F₃NO
• Molecular Weight: 189.13
• Mol File: 368-83-2.mol
• Article Data: 20

Chemical Properties

• Melting Point: 83-86°C
• Boiling Point: 213.3°Cat760mmHg
• Flash Point: 82.8°C
• Appearance: /
• Density: 1.27g/cm³
• Vapor Pressure: 0.0975mmHg at 25°C
• Refractive Index: 1.461
• PKA: 10.46±0.10(Predicted)
• CAS DataBase Reference: 3-(TRIFLUOROMETHYL)BENZALDOXIME(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(TRIFLUOROMETHYL)BENZALDOXIME(368-83-2)
• EPA Substance Registry System: 3-(TRIFLUOROMETHYL)BENZALDOXIME(368-83-2)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• Hazardous Substances Data: 368-83-2(Hazardous Substances Data)

Usage

General Description

3-(Trifluoromethyl)benzaldoxime is a chemical compound that belongs to the class of organic compounds known as benzaldoximes. This molecule's skeleton is based on a benzene ring (a cyclic hexagonal arrangement of carbon and hydrogen atoms), where one carbon is attached to a trifluoromethyl group (-CF3) and another one is connected to an oxime group (R-C=N-OH). Trifluoromethyl group enhances the molecule's fluorophilicity and hydrophobicity, influencing its solubility and reactivity. In fact, the presence of this entity is common in many pharmaceuticals and agrochemicals, suggesting that this compound, or derivatives of it, may exhibit significant biological activity. Like other oximes, the compound could potentially be used as a reversing agent for certain types of drug overdose or poisoning. However, its exact properties and uses would depend on more detailed information and must be studied individually.

InChI:InChI=1/C8H6F3NO/c9-8(10,11)7-3-1-2-6(4-7)5-12-13/h1-5,13H

Upstream product

• 454-89-7 3-Trifluoromethylbenzaldehyde 
• 349-75-7 3-(trifluoromethyl)benzyl alcohol 

Downstream Products

• 2740-83-2 3-(TRIFLUOROMETHYL)BENZYLAMINE 
• 69053-93-6 α-chloro-(3-trifluoromethylbenzaldehyde)oxime 
• 1235471-36-9 3-[3-(trifluoromethyl)phenyl]isoxazole-5-carboxylic acid 2,3,5,6-tetrafluoropyridin-4-ylamide 
• 1235471-38-1 3-[3-(trifluoromethyl)phenyl]isoxazole-5-carboxylic acid 5-chloro-2,3,6-trifluoropyridin-4-ylamide 
• 912347-86-5 ethyl 3-[3-(trifluoromethyl)phenyl]isoxazole-5-carboxylate 
• 1338603-99-8 C₁₃H₈F₉N₃O₅S₂ 
• 1338604-02-6 C₁₄H₁₀F₉N₃O₅S₂ 
• 368-77-4 3-trifluoromethylbenzonitrile 
• 1240190-21-9 (R)-2-butyl-N₄-hydroxy-N₁-[(3-m-trifluoromethylphenylisoxazol-5-yl)-methyl]succinamide 
• 1240190-02-6 5-aminomethyl-3-m-trifluoromethylphenylisoxazole 
• 1240190-09-3 N-[(3-m-trifluoromethylphenylisoxazol-5-yl)-methyl]-(R)-2-tert-butoxycarbonylmethylhexanamide 
• 1240190-15-1 N-[(3-m-trifluoromethylphenylisoxazol-5-yl)methyl]-(R)-2-methoxycarbonylmethylhexanamide 
• 708274-23-1 methyl 3-[3-(trifluoromethyl)phenyl]-4,5-dihydroisoxazole-5-carboxylate 
• 708274-24-2 3-[3-(trifluoromethyl)phenyl]-4,5-dihydroisoxazole-5-carboxylic acid 

Relevant articles and documents

HCl-mediated cascade cyclocondensation of oxygenated arylacetic acids with arylaldehydes: one-pot synthesis of 1-arylisoquinolines

In this paper, a concise, open-vessel synthesis of 1-arylisoquinolines is describedviaHCl-mediated intermolecular cyclocondensation of oxygenated arylacetic acids with arylaldehydes in the presence of NH2OH and alcoholic solvents under mild and one-pot reaction conditions. A plausible mechanism is proposed and discussed herein. In the overall reaction process, only water was generated as the byproduct. Various environmentally friendly reaction conditions are investigated for convenient transformationviathe (4C + 1C + 1N) annulation. This protocol provides a highly effective ring closureviathe formations of one carbon-carbon (C-C) bond, two carbon-nitrogen (C-N) bonds and one carbon-oxygen (C-O) bond.

SO2F2-Mediated one-pot cascade process for transformation of aldehydes (RCHO) to cyanamides (RNHCN)

A simple, mild and practical cascade process for the direct conversion of aldehydes to cyanamides was developed featuring a wide substrate scope and great functional group tolerability. This method allows for transformations of readily available, inexpensive, and abundant aldehydes to highly valuable cyanamides in a pot, atom, and step-economical manner with a green nitrogen source. This protocol will serve as a robust tool for the installation of the cyanamide moiety in various complicated molecules.

A Transition-Metal-Free One-Pot Cascade Process for Transformation of Primary Alcohols (RCH2OH) to Nitriles (RCN) Mediated by SO2F2

A new transition-metal-free one-pot cascade process for the direct conversion of alcohols to nitriles was developed without introducing an “additional carbon atom”. This protocol allows transformations of readily available, inexpensive, and abundant alcohols to highly valuable nitriles.