2-CHLORO-5-NITRONICOTINONITRILE

Base Information

• Chemical Name: 2-CHLORO-5-NITRONICOTINONITRILE
• CAS No.: 31309-08-7
• Molecular Formula: C6H2ClN3O2
• Molecular Weight: 183.554
• Hs Code.: 2933399090
• Mol file: 31309-08-7.mol

Synonyms:Nicotinonitrile,2-chloro-5-nitro- (7CI,8CI);2-Chloro-3-cyano-5-nitropyridine;2-Chloro-5-nitronicotinonitrile;2-Chloro-5-nitropyridine-3-carbonitrile;

Chemical Property of 2-CHLORO-5-NITRONICOTINONITRILE

Chemical Property:

• Vapor Pressure: 0.000529mmHg at 25°C
• Melting Point: 121-126°C
• Refractive Index: 1.603
• Boiling Point: 312.4 °C at 760 mmHg
• PKA: -6.54±0.10(Predicted)
• Flash Point: 142.8 °C
• PSA: 82.50000
• Density: 1.57 g/cm³
• LogP: 2.03808

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-5-nitronicotinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-41
• Safety Statements: 26-39-45

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-CHLORO-5-NITRONICOTINONITRILE

There total 9 articles about 2-CHLORO-5-NITRONICOTINONITRILE 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: 79.0%

2-hydroxy-5-nitronicotinonitrile (31309-38-3) → 2-chloro-5-nitropyridine-3-carbonitrile (31309-08-7)

Guidance literature:

With quinoline; trichlorophosphate; at 0 - 110 ℃; for 2h; Inert atmosphere;

Reference yield:

→ 2-chloro-5-nitropyridine-3-carbonitrile (31309-08-7)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate; at 130 - 140 ℃;

DOI:10.1021/ja01609a077

Reference yield:

2-chloro-3-chlorocarbonyl-5-nitropyridine (135795-55-0) → 2-chloro-5-nitropyridine-3-carbonitrile (31309-08-7)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonia / water

2: thionyl chloride / Reflux

With thionyl chloride; ammonia; In water;

DOI:10.1128/AAC.01308-13

upstream raw materials:

2-chloro-3-chlorocarbonyl-5-nitropyridine

2-chloro-5-nitronicotinamide

2-hydroxynicotinamide

C₆H₅N₃O₄

Downstream raw materials:

5-nitro-2-(N-phenylaminocarbonylmethylthio)-3-cyanopyridine

2-[(β-hydroxyethyl)amino]-3-cyano-5-nitropyridine

2-[(di-β-hydroxyethyl)amino]-3-cyano-5-nitropyridine

8-nitro-3-phenylpyrido[3',2':4,5]thieno[3.2-d]pyrimidin-4(3H)-one