261762-81-6

Basic information

• Product Name: 6-CHLORO-2-FLUORO-3-METHYLBENZOYL CHLORIDE
• Synonyms: 6-CHLORO-2-FLUORO-3-METHYLBENZOYL CHLORIDE;6-Chloro-2-fluoro-m-toluoyl chloride;Benzoyl chloride, 2-chloro-6-fluoro-3-methyl- (9CI);2-Chloro-3-(chlorocarbonyl)-4-fluorotoluene, 2-Chloro-6-fluoro-m-toluoyl chloride
• CAS NO: 261762-81-6
• Molecular Formula: C₈H₅Cl₂FO
• Molecular Weight: 207.03
• EINECS: -0
• Product Categories: ACIDHALIDE
• Mol File: 261762-81-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 247.1 °C at 760 mmHg
• Flash Point: 103.2 °C
• Appearance: /
• Density: 1.396 g/cm³
• Vapor Pressure: 0.0262mmHg at 25°C
• Refractive Index: 1.5265
• Sensitive: Moisture Sensitive
• CAS DataBase Reference: 6-CHLORO-2-FLUORO-3-METHYLBENZOYL CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-CHLORO-2-FLUORO-3-METHYLBENZOYL CHLORIDE(261762-81-6)
• EPA Substance Registry System: 6-CHLORO-2-FLUORO-3-METHYLBENZOYL CHLORIDE(261762-81-6)

Safety Data

• Hazard Codes: C,Xn
• Statements: 34-36/37/38-22
• Safety Statements: 26-36/37/39
• RIDADR: 3265
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 261762-81-6(Hazardous Substances Data)

Usage

General Description

6-Chloro-2-fluoro-3-methylbenzoyl chloride, also known as 6-chloro-2-fluoro-3-methylbenzoyl chloride, is a chemical compound with the molecular formula C8H6ClF. It is classified as a benzoyl chloride, which is often used as an intermediate in the production of pharmaceuticals, agrochemicals, and other organic compounds. This specific compound is a derivative of benzoyl chloride with chlorine and fluorine substitutions at the 6 and 2 positions, respectively, as well as a methyl group at the 3 position. It is commonly used in organic synthesis and chemical research, and its properties make it valuable in a variety of applications within the chemical industry.

InChI:InChI=1/C8H5Cl2FO/c1-4-2-3-5(9)6(7(4)11)8(10)12/h2-3H,1H3

Upstream product

• 32890-89-4 2-chloro-6-fluoro-3-methylbenzoic acid 

Relevant articles and documents

Structure-Based Optimization of a Small Molecule Antagonist of the Interaction between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1)

WD repeat-containing protein 5 (WDR5) is an important component of the multiprotein complex essential for activating mixed-lineage leukemia 1 (MLL1). Rearrangement of the MLL1 gene is associated with onset and progression of acute myeloid and lymphoblastic leukemias, and targeting the WDR5-MLL1 interaction may result in new cancer therapeutics. Our previous work showed that binding of small molecule ligands to WDR5 can modulate its interaction with MLL1, suppressing MLL1 methyltransferase activity. Initial structure-activity relationship studies identified N-(2-(4-methylpiperazin-1-yl)-5-substituted-phenyl) benzamides as potent and selective antagonists of this protein-protein interaction. Guided by crystal structure data and supported by in silico library design, we optimized the scaffold by varying the C-1 benzamide and C-5 substituents. This allowed us to develop the first highly potent (Kdisp 100 nM) small molecule antagonists of the WDR5-MLL1 interaction and demonstrate that N-(4-(4-methylpiperazin-1-yl)-3′-(morpholinomethyl)-[1,1′-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide 16d (OICR-9429) is a potent and selective chemical probe suitable to help dissect the biological role of WDR5.