1-CHLORO-2-(4-NITROPHENYL)ETHANE

Base Information

• Chemical Name: 1-CHLORO-2-(4-NITROPHENYL)ETHANE
• CAS No.: 20264-95-3
• Molecular Formula: C8H8ClNO2
• Molecular Weight: 185.61
• NSC Number: 143402
• DSSTox Substance ID: DTXSID80301441
• Nikkaji Number: J1.134.477A
• Wikidata: Q72450206
• Mol file: 20264-95-3.mol

Synonyms:4-Nitro-phenaethylchlorid;4-nitrophenylethyl bromide;4-nitrophenethyl chloride;

Chemical Property of 1-CHLORO-2-(4-NITROPHENYL)ETHANE

Chemical Property:

• Vapor Pressure: 0.00131mmHg at 25°C
• Melting Point: 171℃
• Boiling Point: 307.5°C at 760 mmHg
• Flash Point: 139.8°C
• PSA: 45.82000
• Density: 1.275g/cm³
• LogP: 2.89930
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 185.0243562
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

99%, ^*data from raw suppliers

1-chloro-2-(4-nitrophenyl)ethane 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCl)[N+](=O)[O-]

Technology Process of 1-CHLORO-2-(4-NITROPHENYL)ETHANE

There total 12 articles about 1-CHLORO-2-(4-NITROPHENYL)ETHANE 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: 90.0%

2-(4-nitrophenyl)ethanol (100-27-6) → 2-(4-nitrophenyl)ethyl chloride (20264-95-3)

Guidance literature:

With pyridine; thionyl chloride; for 2h; Heating;

DOI:10.1016/S0040-4039(00)88175-7

Reference yield: 81.0%

2-(4-nitrophenyl)ethanol (100-27-6) + Benzotrichlorid (98-07-7) → benzylidene dichloride (98-87-3) + 2-(4-nitrophenyl)ethyl chloride (20264-95-3)

Guidance literature:

With TOP; phenylsilane; In neat (no solvent); at 100 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.joc.9b00741

Reference yield: 68.0%

2-phenylethyl chloride (622-24-2) → 2-(4-nitrophenyl)ethyl chloride (20264-95-3) + 1-(2-chloroethyl)-2-nitrobenzene (28917-41-1)

Guidance literature:

With nitric acid; at 0 ℃; for 0.333333h;

DOI:10.1021/jm010924c

upstream raw materials:

ethene

4-nitrobenzenediazonium chloride

2-(4-nitrophenyl)ethanol

2-phenylethyl chloride

Downstream raw materials:

4-[2-(4-nitro-phenyl)-ethyl]-morpholine

1-(2-chloro-ethyl)-2-chloromethyl-4-nitro-benzene

1-nitro-4-phenethylbenzene

2-(4-nitro-phenyl)ethanesulfonyl chloride

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