72482-64-5

Basic information

• Product Name: 2,4-Difluorobenzoyl chloride
• Synonyms: Benzoyl chloride, 2,4-difluoro-;2,4-Difluorobenzoic acid chloride;2,4-Difluorobenzoyl chloride,97%;2,4-Difluorobenzoyl chloride, 97% 2.5ML;2,4-DIFLUOROBENZOYL CHLORIDE;TIMTEC-BB SBB006623;Benzoyl chloride, 2,4-difluoro- (9CI);2,4-Difluorobenzoyl
• CAS NO: 72482-64-5
• Molecular Formula: C₇H₃ClF₂O
• Molecular Weight: 176.55
• EINECS: 276-690-4
• Product Categories: Acid Halides;Carbonyl Compounds;Organic Building Blocks;Fluorine series;ACIDHALIDE
• Mol File: 72482-64-5.mol
• Article Data: 43

Chemical Properties

• Melting Point: 70-71 °C
• Boiling Point: 96-98 °C (15 mmHg)
• Flash Point: 180 °F
• Appearance: clear light yellow to yellow liquid
• Density: 1.437 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0278mmHg at 25°C
• Refractive Index: n20/D 1.5157(lit.)
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility: REACTS
• Sensitive: Moisture Sensitive
• BRN: 4800566
• CAS DataBase Reference: 2,4-Difluorobenzoyl chloride(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-Difluorobenzoyl chloride(72482-64-5)
• EPA Substance Registry System: 2,4-Difluorobenzoyl chloride(72482-64-5)

Safety Data

• Hazard Codes: C
• Statements: 34-36/37-29
• Safety Statements: 23-26-27-36/37/39-45
• RIDADR: UN 3265 8/PG 2
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 72482-64-5(Hazardous Substances Data)

Usage

Chemical Properties

clear light yellow to yellow liquid

Uses

Different sources of media describe the Uses of 72482-64-5 differently. You can refer to the following data:
1. 2,4-Difluorobenzoyl chloride is used as a pharmaceutical intermediate.
2. 2,4-Difluorobenzoyl chloride was used in the synthesis of 3-oxocyclohex-1-enyl 2,4-difluorobenzoate.

InChI:InChI=1S/C7H3ClF2O/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3H

Upstream product

• 79-37-8 oxalyl dichloride 
• 1583-58-0 2,4-difluoro-benzoic acid 
• 13656-36-5 3,5-dichloro-2,4,6-trifluorobenzoic acid 
• 729559-69-7 N-(4-cyanophenyl)-2,4-difluorobenzamide 
• 67640-39-5 2,4-difluorobenzoyl fluoride 

Downstream Products

• 1007530-96-2 2,4-difluoro-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide 
• 1323401-90-6 C₁₉H₁₂F₂N₂O 
• 847910-61-6 (S)-2,4-difluorobenzoylphenylalanine acetoxymethyl ketone 
• 847910-69-4 (S)-2,4-difluorobenzoylphenylalanine hydroxymethyl ketone 
• 760187-89-1 (S)-2,4-difluorobenzoylphenylalanine N-hydroxyamide 
• 220602-72-2 [2-fluoro-4-(3-methyl-1H-pyrazol-1-yl)-phenyl]-(6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-methanone 
• 902524-14-5 3-(2',4'-difluorophenyl)isocoumarin 
• 1004992-29-3 (S)-tert-butyl 3-(tert-butoxycarbonylamino)-3-((2,4-difluorobenzamido)methyl)pyrrolidine-1-carboxylate 
• 908336-76-5 2,4-difluoro-N-(4-chloro-2-hydroxyphenyl)-benzamide 

Relevant articles and documents

Experimental and theoretical structure characterization of two isoniazid derivatives: 2,4-Difluoro-N′-isonicotinoylbenzohydrazide and 2,4-dichloro-N′-isonicotinoylbenzohydrazide hydrochloride

An X-ray and a theoretical study of the structure of the isoniazid derivatives, 2,4-difluoro-N′-isonicotinoylbenzohydrazide, 3, and 2,4-dichloro-N′-isonicotinoylbenzohydrazide hydrochloride, [4H+, Cl-, 2(H2O)], are reported. Quantum chemical calculations as well as conformational analysis are presented with the isolated cations [3H+] and [4H+], where the former was protonated in silico to allow direct comparison of results. Supermolecule calculations were also carried out with the asymmetric unit of [4H+, Cl-, 2(H2O)], which is comprised of two independent cations (4H+), two chloride ions and four water molecules. Our results indicate that the crystal structures, although clearly representing accessible conformations, are highly distorted in comparison to the predicted lower energy conformers in the gas-phase. These distortions are most probably imposed by polar and electrostatic interactions within the crystal packing. In general, the calculated potential energy surfaces (PES) for both isoniazid derivatives are fairly flat, a feature confirmed by the low energetic difference calculated for several conformers corresponding to local minima in PES. Noteworthy, the fluorinated compound [3H+] shows an important additional energy barrier for rotation around the bond connecting the halogenated ring to the proximate carbonyl due to a strong internal hydrogen bond involving the fluorine atom.

Br?nsted acid-catalyzed chlorination of aromatic carboxylic acids

The chlorination of aromatic carboxylic acids with SOCl2 has been effectively performed by reacting with a Br?nsted acid as the catalyst. Based on this discovery, an efficient catalytic method that is cheaper than traditional catalytic methods was developed. 20 substrates were chlorinated offering excellent yields in a short reaction time. And the SOCl2/Br?nsted acid system has been used in a larger scale preparative reaction. A dual activation mechanism was proposed to prove the irreplaceable system of SOCl2/Br?nsted acid.

PIPERAZINE SUBSTITUTED AZAPINE DERIVATIVES AND USES THEREOF

The present disclosure relates to compounds of Formula (I) and (II): and to their prodrugs, pharmaceutically acceptable salts, pharmaceutical compositions, methods of use, and methods for their preparation. The compounds disclosed herein are useful for modulating H1 and 5-HT2A receptors and are to be used in the treatment of sleep disorders, such as sleep fragmentation, disturbed sleep/arousals, and arousal threshold.