394-39-8

Basic information

• Product Name: 2-Fluoro-4-chlorobenzoyl chloride
• Synonyms: 2-FLUORO-4-CHLOROBENZOYL CHLORIDE;4-CHLORO-2-FLUOROBENZOYL CHLORIDE;2-Fluoro-4-Chlorobenzoyl Chloride 4-Chloro-2-Fluorobenzoyl Chloride;2-Fluoro-4-chloroben
• CAS NO: 394-39-8
• Molecular Formula: C₇H₃Cl₂FO
• Molecular Weight: 193
• Mol File: 394-39-8.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 205.5 °C at 760 mmHg
• Flash Point: 78.1 °C
• Appearance: /
• Density: 1.462 g/cm³
• Refractive Index: 1.536
• CAS DataBase Reference: 2-Fluoro-4-chlorobenzoyl chloride(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Fluoro-4-chlorobenzoyl chloride(394-39-8)
• EPA Substance Registry System: 2-Fluoro-4-chlorobenzoyl chloride(394-39-8)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45
• RIDADR: 3265
• HazardClass: CORROSIVE
• Hazardous Substances Data: 394-39-8(Hazardous Substances Data)

Usage

General Description

2-Fluoro-4-chlorobenzoyl chloride is a chemical compound with the molecular formula C7H3Cl2FO. It's an organic compound that belongs to the class of chemicals known as organochlorides and organofluorides, characterized by the presence of chloro and fluoro groups. Its physical appearance is not widely documented. This substance is typically utilized in the field of organic synthesis. There is limited information available regarding its safety, hazard class, precautions and its environmental impacts; therefore, it should be handled, used, and disposed of with caution.

InChI:InChI=1/C7H3Cl2FO2/c8-4-1-2-5(6(10)3-4)7(11)12-9/h1-3H

Upstream product

• 446-30-0 4-chloro-2-fluorobenzoic acid 
• 141-75-3 butyryl chloride 
• 154267-22-8 4-chloro-2-fluorophenyl trifluoromethanesulfonate 
• 348-62-9 4-chloro-2-fluorophenol 
• 452-75-5 4-chloro-2-fluorotoluene 

Downstream Products

• 1392268-30-2 4-chloro-2-fluoro-N-(2-(2-methyl-1H-indol-3-yl)ethyl)benzamide 
• 148893-72-5 4-chloro-2-fluorobenzoic acid methyl ester 
• 635725-14-3 4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexanone 
• 1343038-33-4 4-chloro-2-fluoro-N-methylbenzamide 
• 198967-23-6 4-chloro-2-fluoro-N-methyl-N-(methyloxy)benzamide 

Relevant articles and documents

A class of triacylamine derivatives containing 1,8-naphthalimide and preparation method and use thereof

The present invention provides a class of triacylamine derivatives of 1,8-naphthalimide and preparation methods and uses thereof, the present invention relates to a triacylamine derivative of 1,8-naphthoimide, which has a general formula of chemical struc

Palladium-Catalyzed Chlorocarbonylation of Aryl (Pseudo)Halides Through In Situ Generation of Carbon Monoxide

An efficient palladium-catalyzed chlorocarbonylation of aryl (pseudo)halides that gives access to a wide range of carboxylic acid derivatives has been developed. The use of butyryl chloride as a combined CO and Cl source eludes the need for toxic, gaseous carbon monoxide, thus facilitating the synthesis of high-value products from readily available aryl (pseudo)halides. The combination of palladium(0), Xantphos, and an amine base is essential to promote this broadly applicable catalytic reaction. Overall, this reaction provides access to a great variety of carbonyl-containing products through in situ transformation of the generated aroyl chloride. Combined experimental and computational studies support a reaction mechanism involving in situ generation of CO.

Dibenzo[b,f][1,4]oxazepines and dibenzo[b,e]oxepines: Influence of the chlorine substitution pattern on the pharmacology at the H1R, H4R, 5-HT2AR and other selected GPCRs

Inspired by VUF6884 (7-Chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]oxazepine), reported as a dual H1/H4 receptor ligand (pKi: 8.11 (human H1R (hH1R)), 7.55 (human H4R (hH4R))), four known and 28 new oxazepine and related oxepine derivatives were synthesised and pharmacologically characterized at histamine receptors and selected aminergic GPCRs. In contrast to the oxazepine series, within the oxepine series, the new compounds showed high affinity to the hH1R (pKi: 6.8–8.7), but no or moderate affinity to the hH4R (pKi: ≤ 5.3). For one oxepine derivative (1-(2-Chloro-6,11-dihydrodibenzo[b,e]oxepin-11-yl)-4-methylpiperazine), the enantiomers were separated and the R-enantiomer was identified as the eutomer at the hH1R (pKi: 8.83 (R), 7.63 (S)) and the guinea-pig H1R (gpH1R) (pKi: 8.82 (R), 7.41 (S)). Molecular dynamic studies suggest that the tricyclic core of the compounds is bound in a similar mode into the binding pocket, as described for doxepine in the hH1R crystal structure. Moreover, docking studies of all oxepine derivatives at the hH1R indicate that the oxygen and the position of the chlorine in the tricyclic core determines, if the R- or the S-enantiomer is the eutomer. For some of the oxazepines and oxepines the affinity to other aminergic GPCRs is in the same range as to hH1R or hH4R, thus, those compounds have to be classified as dirty drugs. However, one oxazepine derivative (3,7-Dichloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]oxazepine was identified as dual hH1/h5-HT2A receptor ligand (pKi: 9.23 (hH1R), 8.74 (h5-HT2AR), ≤7 at other analysed GPCRs), whereas one oxepine derivative (1-(3,8-Dichloro-6,11-dihydrodibenzo[b,e]oxepin-11-yl)-4-methylpiperazine) was identified as selective hH1R antagonist (pKi: 8.44 (hH1R), ≤6.7 at other analyzed GPCRs). Thus, the pharmacological results suggest that the oxazepine/oxepine moiety and additionally the chlorine substitution pattern toggles receptor selectivity and specificity.