2-Chloro-1-(chloromethyl)-3-nitrobenzene

Base Information

• Chemical Name: 2-Chloro-1-(chloromethyl)-3-nitrobenzene
• CAS No.: 108772-93-6
• Molecular Formula: C₇H₅Cl₂NO₂
• Molecular Weight: 206.028
• European Community (EC) Number: 967-661-3

Synonyms:2-chloro-1-(chloromethyl)-3-nitrobenzene;108772-93-6;SCHEMBL11693636;2-chloro-1-(chloromethyl)-3-nitro-benzene;EN300-338467

Chemical Property of 2-Chloro-1-(chloromethyl)-3-nitrobenzene

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 204.9697338
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)CCl

Technology Process of 2-Chloro-1-(chloromethyl)-3-nitrobenzene

There total 2 articles about 2-Chloro-1-(chloromethyl)-3-nitrobenzene 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:

(2-chloro-3-nitrophenyl)methanol (89639-98-5) → 2-chloro-3-nitrobenzyl chloride (108772-93-6)

Guidance literature:

With pyridine; thionyl chloride; In toluene; at 45 - 50 ℃; for 5h;

DOI:10.1021/jm00390a009

Reference yield:

2-chloro-3-nitrobezoic acid (3970-35-2) → 2-chloro-3-nitrobenzyl chloride (108772-93-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / B₂H₆ / tetrahydrofuran

2: SOCl₂, pyridine / toluene / 5 h / 45 - 50 °C

With pyridine; thionyl chloride; diborane; In tetrahydrofuran; toluene;

DOI:10.1021/jm00390a009

Reference yield: 67.0%

sodium cyanide (143-33-9,25596-52-5) + 2-chloro-3-nitrobenzyl chloride (108772-93-6) → 2-chloro-3-nitrophenylacetonitrile (108772-95-8) + 2,3-Bis-(2-chloro-3-nitro-phenyl)-propionitrile (108772-94-7)

Guidance literature:

With tetrabutylammomium bromide; In dichloromethane; water; for 18h; Ambient temperature;

DOI:10.1021/jm00390a009

upstream raw materials:

(2-chloro-3-nitrophenyl)methanol

2-chloro-3-nitrobezoic acid

Downstream raw materials:

2-chloro-3-nitrophenylacetonitrile

2,3-Bis-(2-chloro-3-nitro-phenyl)-propionitrile

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