698-80-6

Basic information

• Product Name: 3,4-Difluorobenzyl chloride
• Synonyms: 3,4-DIFLUOROBENZYL CHLORIDE;3,4-Difluorobenzylchloride,98%;3,4-Difluorobenzyl chloride 98%;3,4-Difluorobenzyl chloride, 98% 25GR;3,4-Difluorobenzyl chloride, 98% 5GR;[(3,4-difluorophenyl)Methyl]chloranuide;alpha-Chloro-3,4-difluorotoluene, 4-(Chloromethyl)-1,2-difluorobenzene
• CAS NO: 698-80-6
• Molecular Formula: C₇H₅ClF₂
• Molecular Weight: 162.56
• Product Categories: Other fluorin-contained compounds;Fluorobenzene;Halogenated Heterocycles
• Mol File: 698-80-6.mol
• Article Data: 1

Chemical Properties

• Melting Point: 52-53 °C
• Boiling Point: 28 °C
• Flash Point: 27-29°C/0.4mm
• Appearance: Clear colorless to faintly yellow/Liquid
• Density: 1.294g/cm3
• Vapor Pressure: 1.17mmHg at 25°C
• Refractive Index: 1.485
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive: Lachrymatory
• CAS DataBase Reference: 3,4-Difluorobenzyl chloride(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-Difluorobenzyl chloride(698-80-6)
• EPA Substance Registry System: 3,4-Difluorobenzyl chloride(698-80-6)

Safety Data

• Hazard Codes: C
• Statements: 34-20/22
• Safety Statements: 45-36/37/39-26
• RIDADR: 1760
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 698-80-6(Hazardous Substances Data)

Usage

Chemical Properties

Clear colorless to faintly yellow liquid

InChI:InChI=1/C7H5ClF2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2

Upstream product

• 542-88-1 bis(2-chloromethyl)ether 
• 367-11-3 ortho-difluorobenzene 
• 85118-05-4 (3,4-difluorophenyl)methanol 

Downstream Products

• 414877-37-5 1-(3,4-difluorobenzyl)-3-hydroxypiperidine 
• 945027-67-8 C₁₂H₁₆N₂F₂ 
• 1094567-95-9 C₂₉H₂₆F₂N₆O 
• 1352146-25-8 C₂₉H₂₅F₃N₆O 
• 1352146-26-9 C₃₀H₂₈F₂N₆O₂ 
• 1352146-27-0 C₃₀H₂₈F₂N₆O 
• 1352146-28-1 C₃₀H₂₅F₅N₆O 
• 1352146-13-4 C₃₁H₂₉F₂N₅O 
• 1352146-29-2 C₂₉H₂₅F₃N₆O 
• 1352146-30-5 C₃₀H₂₅F₅N₆O₂ 
• 1352146-31-6 C₃₀H₂₈F₂N₆O 

Relevant articles and documents

Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-β-lactamase inhibitors

Production of metallo-β-lactamases (MBLs) in bacterial pathogens is an important cause of resistance to the ‘last-resort’ carbapenem antibiotics. Development of effective MBL inhibitors to reverse carbapenem resistance in Gram-negative bacteria is still needed. We herein report X-ray structure-guided optimization of 1H-imidazole-2-carboxylic acid (ICA) derivatives by considering how to engage with the active-site flexible loops and improve penetration into Gram-negative bacteria. Structure-activity relationship studies revealed the importance of appropriate substituents at ICA 1-position to achieve potent inhibition to class B1 MBLs, particularly the Verona Integron-encoded MBLs (VIMs), mainly by involving ingenious interactions with the flexible active site loops as observed by crystallographic analyses. Of the tested ICA inhibitors, 55 displayed potent synergistic antibacterial activity with meropenem against engineered Escherichia coli strains and even intractable clinically isolated Pseudomonas aeruginosa producing VIM-2 MBL. The morphologic and internal structural changes of bacterial cells after treatment further demonstrated that 55 crossed the outer membrane and reversed the activity of meropenem. Moreover, 55 showed good pharmacokinetic and safety profile in vivo, which could be a potential candidate for combating VIM-mediated Gram-negative carbapenem resistance.