27611-63-8

Basic information

• Product Name: 2-CYANOBENZOYL CHLORIDE
• Synonyms: 2-CYANOBENZOYL CHLORIDE;2-Cyanobenzoic acid chloride;Benzoyl chloride,2-cyano-;2-Cyanobenzoyl chloride 95%
• CAS NO: 27611-63-8
• Molecular Formula: C₈H₄ClNO
• Molecular Weight: 165.58
• EINECS: 248-572-2
• Mol File: 27611-63-8.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 299.6°Cat760mmHg
• Flash Point: 135°C
• Appearance: /
• Density: 1.32g/cm³
• Vapor Pressure: 0.00118mmHg at 25°C
• Refractive Index: 1.567
• CAS DataBase Reference: 2-CYANOBENZOYL CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CYANOBENZOYL CHLORIDE(27611-63-8)
• EPA Substance Registry System: 2-CYANOBENZOYL CHLORIDE(27611-63-8)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26
• Hazardous Substances Data: 27611-63-8(Hazardous Substances Data)

Usage

General Description

2-Cyanobenzoyl Chloride is a chemical compound that is primarily used in the realm of organic synthesis. The substance, categorized under the molecular formula C8H4ClNO, is light yellow in color and typically appears in the form of a crystalline powder. Its primary roles are in creating other chemical combinations, where it serves as an acyl donor or a derivatizing agent. Its unique properties include a boiling point at around 119-120 C, a melting point at around 32-36 C, and a flashpoint at 110 C. Its CAS number is 611-20-1. However, it should be handled with care; it is deemed harmful if swallowed or if it comes into contact with the skin or eyes.

InChI:InChI=1/C8H4ClNO/c9-8(11)7-4-2-1-3-6(7)5-10/h1-4H

Upstream product

• 6587-24-2 methyl 2-cyanobenzoate 
• 88-97-1 phthalamic acid 
• 3839-22-3 2-cyanobenzoic acid 
• 10026-13-8 phosphorus pentachloride 
• 136918-14-4 phthalimide 

Downstream Products

• 159589-69-2 4'-[(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-2-cyanobenzanilide 
• 34446-14-5 3-imino-2-phenylisoindolin-1-one 
• 19731-00-1 o-Cyan-benzoesaeure-hydrazid 
• 6587-24-2 methyl 2-cyanobenzoate 
• 840490-44-0 6-[4-(2-cyanobenzoyl)piperazin-1-yl]-pyridazine-3-carboxylic acid (2-cyclopropylethyl)amide 
• 1201922-36-2 2-(2-cyanophenyl)-5-(p-tolylamino)-4-(p-tolylimino)-4H-imidazole 

Relevant articles and documents

Lead derivatization of ethyl 6-bromo-2-((dimethylamino)methyl)-5-hydroxy-1-phenyl-1H-indole-3-carboxylate and 5-bromo-2-(thiophene-2-carboxamido) benzoic acid as FabG inhibitors targeting ESKAPE pathogens

Our previous studies on FabG have identified two compounds 5-bromo-2-(thiophene-2-carboxamido) benzoic acid (A) and ethyl 6-bromo-2-((dimethylamino)methyl)-5-hydroxy-1-phenyl-1H-indole-3-carboxylate(B) as best hits with allosteric mode of inhibition. FabG is an integral part of bacterial fatty acid biosynthetic system FAS II shown to be an essential gene in most ESKAPE Pathogens. The current work is focussed on lead expansion of these two hit molecules which ended up with forty-three analogues (twenty-nine analogues from lead compound A and fourteen compounds from lead compound B). The enzyme inhibition studies revealed that compound 15 (effective against EcFabG, AbFabG, StFabG, MtFabG1) and 19 (inhibiting EcFabG and StFabG) had potency of broad-spectrum inhibition on FabG panel.

Nitrogenous heterocyclic compound with nematocidal activity, preparation method and application thereof

The invention relates to a nitrogenous heterocyclic compound with nematocidal activity, a preparation method and application thereof. Specifically, the invention discloses a compound with a formula (I) or an optical isomer, cis-trans isomer or acceptable salt in agricultural pharmacology and a preparation method thereof. The invention further discloses an agricultural composition containing the compound and application thereof. The compound has excellent nematocidal activity.

Mapping the structural boundaries of quasiracemate fractional crystallization using 2-substituted diarylamides

Video-assisted hot stage polarized light microscopy of 55 quasienantiomeric pairs, constructed from 22 chiral diarylamides that systematically differ in topology, reveals the structural boundaries of molecular shape to supramolecular assembly.