5-Bromo-2-chloro-3-pyridinecarbonyl chloride

Base Information

• Chemical Name: 5-Bromo-2-chloro-3-pyridinecarbonyl chloride
• CAS No.: 78686-86-9
• Molecular Formula: C6H2BrCl2NO
• Molecular Weight: 254.898
• Hs Code.: 2933399090
• European Community (EC) Number: 632-847-2
• DSSTox Substance ID: DTXSID90506561
• Wikidata: Q82362359
• Mol file: 78686-86-9.mol

Synonyms:78686-86-9;5-BROMO-2-CHLORO-3-PYRIDINECARBONYL CHLORIDE;5-bromo-2-chloronicotinoyl chloride;5-bromo-2-chloropyridine-3-carbonyl chloride;5-Bromo-2-chloro-nicotinoyl chloride;5-BROMO-2-CHLORO-3-PYRIDINECARBONYLCHLORIDE;SCHEMBL983160;DTXSID90506561;ZXLONDRTSKAJOQ-UHFFFAOYSA-N;MFCD12827961;AS-5945;FT-0763359;E90774

Chemical Property of 5-Bromo-2-chloro-3-pyridinecarbonyl chloride

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.604
• Boiling Point: 297.008 °C at 760 mmHg
• Flash Point: 133.426 °C
• PSA: 29.96000
• Density: 1.858 g/cm³
• LogP: 2.87650
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 252.86968
• Heavy Atom Count: 11
• Complexity: 167

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Bromo-2-chloronicotinoylchloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=C1C(=O)Cl)Cl)Br

Technology Process of 5-Bromo-2-chloro-3-pyridinecarbonyl chloride

There total 8 articles about 5-Bromo-2-chloro-3-pyridinecarbonyl 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:

5-bromo-2-chloronicotinic acid (29241-65-4) → 5-bromo-2-chloro-pyridine-3-carbonyl chloride (78686-86-9)

Guidance literature:

With thionyl chloride; for 1h; Heating;

DOI:10.1021/je00025a033

Reference yield:

Sodium 5-bromo-2-chloronicotinate (931105-54-3) → 5-bromo-2-chloro-pyridine-3-carbonyl chloride (78686-86-9)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 23 ℃; for 1h;

Reference yield:

3-amino-2-(ethylamino)pyridine (32282-06-7) → 5-bromo-2-chloro-pyridine-3-carbonyl chloride (78686-86-9)

Guidance literature:

With sodium hydrogencarbonate; In acetonitrile;

upstream raw materials:

5-bromo-2-chloronicotinic acid

3-amino-2-(ethylamino)pyridine

Sodium 5-bromo-2-chloronicotinate

2-chloronicotinic acid

Downstream raw materials:

BIRK 122

5,11-dihydro-11-ethyl-8-bromo-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

2-bromo-5-ethyl-10-methyl-5,10-dihydro-4,5,6,10-tetraazadibenzo[a,d]cyclohepten-11-one

C₇H₆BrClN₂O

Refernces

• 1、 -. "HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME". Paragraph 00189-00191. . Retrieved 2020/07/25.
• 2、 Larsen, Matthew A.,Hartwig, John F.. "Iridium-catalyzed C-H borylation of heteroarenes: Scope, regioselectivity, application to late-stage functionalization, and mechanism". supporting information. p. 4287 - 4299. Retrieved 2014/04/03.