6-Chloronicotinoyl chloride

Base Information

• Chemical Name: 6-Chloronicotinoyl chloride
• CAS No.: 66608-11-5
• Molecular Formula: C₆H₃Cl₂NO*ClH
• Molecular Weight: 212.463
• European Community (EC) Number: 611-746-7,629-450-1
• DSSTox Substance ID: DTXSID00974277
• Nikkaji Number: J1.124.259F
• Wikidata: Q72455636
• Mol file: 66608-11-5.mol

Synonyms:6-Chloronicotinoyl chloride;58757-38-3;6-Chloropyridine-3-carbonyl Chloride;6-chloronicotinoylchloride;3-Pyridinecarbonyl chloride, 6-chloro-;2-Chloropyridine-5-carbonyl chloride;6-Chloro-nicotinoyl chloride;6-chloronicotinic chloride;6-chloro-nicotinic chloride;SCHEMBL17801;6-Chloronicotinic acid chloride;6-chloro-nicotinic acid chloride;FMEBIWNKYZUWFV-UHFFFAOYSA-;DTXSID00974277;6-Chloronicotinoyl chloride, 97%;6-Chloropyrid-3-ylcarbonyl chloride;6-chloro-3-pyridinecarbonyl chloride;BBL103151;MFCD00051775;STL556961;6-chloro-pyridine-3-carbonyl chloride;AKOS005216119;2G-399S;2-chloropyridine-5-carboxylic acid chloride;AM20061351;C1726;FT-0621084;D78310;EN300-201112;5-Methyl-1,3,4-oxadiazole-2-carboxylicacidpotassiumsalt;Z1255461313;InChI=1/C6H3Cl2NO/c7-5-2-1-4(3-9-5)6(8)10/h1-3H

Chemical Property of 6-Chloronicotinoyl chloride

Chemical Property:

• Melting Point: 48-51oC(lit.)
• Flash Point: >230 °F
• PSA: 29.96000
• LogP: 2.11400
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.9591691
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

99%min ^*data from raw suppliers

6-Chloronicotinoyl chloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: Xi,C
• Statements: 36/37/38-34
• Safety Statements: 26-36-45-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC=C1C(=O)Cl)Cl
• Uses: 6-Chloronicotinoyl chloride may be used to synthesize:[3H]imidacloprid (a candidate radioligand)[3H]acetamipridN,N′-(1,4-phenylene)bis(6-(4-aminophenoxy) nicotinamide)3-acetyl-6-chloropyridine1,3-dipropyl-8(6-chloro-3-pyridyl)xanthine

Technology Process of 6-Chloronicotinoyl chloride

There total 1 articles about 6-Chloronicotinoyl chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

6-Chloro-3-pyridinecarboxylic acid (5326-23-8) → 6-chloronicotinoyl chloride hydrochloride (66608-11-5)

Guidance literature:

With thionyl chloride; for 2h; Heating / reflux;

upstream raw materials:

6-Chloro-3-pyridinecarboxylic acid

Refernces

• 1、 -. "PYRAZOLOPYRIDINE DERIVATES". Page 41. . Retrieved 2008/06/13.