58757-38-3

Basic information

• Product Name: 6-CHLORONICOTINOYL CHLORIDE
• Synonyms: BUTTPARK 96\50-26;6-CHLOROPYRIDINE-3-CARBONYL CHLORIDE;6-CHLORONICOTINOYL CHLORIDE;6-CHLORONICOTINYL CHLORIDE;6-Chloronicotinoylchloride,98%;3-Pyridinecarbonyl chloride, 6-chloro- (9CI);2-CHLOROPYRIDINE-5-CARBONYL CHLORIDE;6-Chloronicotinoyl Chlorid
• CAS NO: 58757-38-3
• Molecular Formula: C₆H₃Cl₂NO
• Molecular Weight: 176
• Product Categories: ACIDHALIDE;Heterocycles;Carbonyl Chlorides;Pyridines;Heterocyclic Compounds;Chloropyridines;Halopyridines;Carbonyl Chlorides
• Mol File: 58757-38-3.mol
• Article Data: 77

Chemical Properties

• Melting Point: 48-51 °C(lit.)
• Boiling Point: 84-85°C 3mm
• Flash Point: >230 °F
• Appearance: White to off-white/Solid
• Density: 1.454 g/cm³
• Vapor Pressure: 0.0274mmHg at 25°C
• Refractive Index: 1.566
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility: soluble in Toluene
• PKA: -2.65±0.10(Predicted)
• Sensitive: Moisture Sensitive
• BRN: 115927
• CAS DataBase Reference: 6-CHLORONICOTINOYL CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-CHLORONICOTINOYL CHLORIDE(58757-38-3)
• EPA Substance Registry System: 6-CHLORONICOTINOYL CHLORIDE(58757-38-3)

Safety Data

• Hazard Codes: Xi,C
• Statements: 36/37/38-34
• Safety Statements: 26-36-45-36/37/39
• RIDADR: UN 3261 8/PG 2
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 58757-38-3(Hazardous Substances Data)

Usage

General Description

6-Chloronicotinoyl chloride, also known as 6-chloro-3-pyridinecarbonyl chloride, is a chemical compound with the formula C6H3Cl2NO. It is a chlorinated derivative of nicotinoyl chloride and is used in the production of various pharmaceuticals, agrochemicals, and dyes. It is a reactive and highly toxic compound that is primarily used as an intermediate in the synthesis of other chemicals. 6-Chloronicotinoyl chloride is a colorless to light yellow liquid with a pungent odor and should be handled with care due to its potential to cause irritation to the skin, eyes, and respiratory system upon exposure. Additionally, it should be stored and handled in a well-ventilated area, away from heat, sparks, and open flame.

InChI:InChI=1/C6H3Cl2NO/c7-5-2-1-4(3-9-5)6(8)10/h1-3H

Upstream product

• 66572-55-2 6-methoxynicotinic acid 
• 53939-30-3 5-bromo-2-chloropyridine 
• 141-75-3 butyryl chloride 
• 5006-66-6 6-hydroxynicotinic acid 
• 18368-64-4 2-chloro-5-methylpyridine 
• 6311-35-9 6-bromonicotinic acid 
• 100790-99-6 Potassium; 6-chloro-nicotinate 
• 5326-23-8 6-Chloro-3-pyridinecarboxylic acid 
• 2398-81-4 Nicotinic acid N-oxide 
• 5006-66-6 6-hydroxy-3-pyridinecarboxylic acid 
• 3510-66-5 2-Bromo-5-methylpyridine 

Downstream Products

• 54864-96-9 6-chloro-N,N-diethyl-nicotinamide 
• 224817-03-2 6-chloro-N-phenyl-nicotinamide 
• 49608-01-7 6-chloro-3-pyridinecarboxylic acid ethyl ester 
• 126918-39-6 6-Chloro-N-[(1S,2S)-2-(2,4-difluoro-phenyl)-2-hydroxy-1-methyl-3-[1,2,4]triazol-1-yl-propyl]-nicotinamide 
• 152328-60-4 1-(2-chloro-5-pyridyl)-2-phenylsulfonylethanone 
• 133476-33-2 6-Chloro-N-[3-(4-chloro-phenyl)-[1,3]thiazetidin-(2Z)-ylidene]-nicotinamide 
• 131886-22-1 6-chloro-N-(5-imidazol-1-yl-2-nitrophenyl)nicotinamide 
• 79567-66-1 2-chloro-5-benzoylpyridine 
• 123412-46-4 N-<(2-chloropyridin-5-yl)carbonyl>pyrrolidine-2-carboxylic acid 
• 193964-29-3 (2-(4-methoxyphenyl)benzo[b]thiophene-3-yl)-(6-chloropyrid-3-yl)ketone 
• 55676-22-7 3-acetyl-6-chloropyridine 
• 364078-28-4 N-(4-fluoro-phenyl)-6-chloro-nicotinamide 
• 352228-42-3 6-chloro-N-(4-ethoxy-2-nitrophenyl)-3-pyridinecarboxamide 
• 1027978-94-4 3-(6-chloro-pyridin-3-yl)-2-(4-dimethylamino-phenyl)-3-oxo-propionic acid ethyl ester 

Relevant articles and documents

Synthesis and crystal structure of N′-(6-chloropyridin-3-formyl)-N-t- butyl urea

The crystal structure of N′-(6-chloropyridin-3-formyl)-N-t-butyl urea, C11H14ClN3O2, has been established, and which belongs to monoclinic crystal system, space group Pn with unit cell dimensions a = 9.335(3) A, b = 12.715(3) A, c = 21.813(6) A, β = 95.417(6)°, V = 2577.6(12) A3 and Z = 8. An intramolecular N-H???O hydrogen bond forms a six-membered ring in the central part of the molecule. Both two N-H atoms of single unit participate in intermolecular hydrogen bonds and an intramolecular hydrogen bond, respectively. The crystal structure ofN′-(6-chloropyridin-3-formyl)- N-t-butyl urea, C11H14ClN3O2, has been established, and which belongs to monoclinic crystal system withZ = 8, space group Pn. [Figure not available: see fulltext.]

Synthesis of 6-chloronicotinates of steroidal 3β,5α,6β- triols and 3β,5-dihydroxy-6-ketones

New esters of 3β,5α,6β-trihydroxysteroids and 3β,5-dihydroxy-6-ketosteroids containing 6-chloropyridine groups characteristic of the alkaloid epibatidine were synthesized by acylation with 6-chloronicotinoylchloride.

Synthesis of 2-methoxybenzamide derivatives and evaluation of their hedgehog signaling pathway inhibition

Aberrant hedgehog (Hh) signaling is implicated in the development of a variety of cancers. Smoothened (Smo) protein is a bottleneck in the Hh signal transduction. The regulation of the Hh signaling pathway to target the Smo receptor is a practical approach for development of anticancer agents. We report herein the design and synthesis of a series of 2-methoxybenzamide derivatives as Hh signaling pathway inhibitors. The pharmacological data demonstrated that compound 21 possessed potent Hh pathway inhibition with a nanomolar IC50 value, and it prevented Shh-induced Smo from entering the primary cilium. Furthermore, mutant Smo was effectively suppressed via compound 21. The in vitro antiproliferative activity of compound 21 against a drug-resistant cell line gave encouraging results. This journal is

Substituted formyldimethomorph (ethylpiperazine compound and) application thereof

The invention relates to substituted formyl morpholinoethyl piperazine compounds and an application thereof. The compounds are shown in a general formula (I) in the description, wherein R is phenyl, pyridyl, furyl, pyrazolyl, thiazolyl, thienyl or phenazi