4-(2-Chloroethyl)benzyl chloride

Base Information

• Chemical Name: 4-(2-Chloroethyl)benzyl chloride
• CAS No.: 53459-40-8
• Molecular Formula: C9H10Cl2
• Molecular Weight: 189.084
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID1068853
• Nikkaji Number: J429.216B
• Wikidata: Q81995616
• Mol file: 53459-40-8.mol

Synonyms:1-(2-chloroethyl)-4-(chloromethyl)benzene;53459-40-8;4-(2-Chloroethyl)benzyl chloride;Benzene, 1-(2-chloroethyl)-4-(chloromethyl)-;SCHEMBL9192375;DTXSID1068853;p-(2-chloroethyl)-alpha-chlorotoluene

Chemical Property of 4-(2-Chloroethyl)benzyl chloride

Chemical Property:

• Vapor Pressure: 0.009mmHg at 25°C
• Boiling Point: 274.5°Cat760mmHg
• Flash Point: 131.5°C
• PSA: 0.00000
• Density: 1.172g/cm³
• LogP: 3.20670
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 188.0159557
• Heavy Atom Count: 11
• Complexity: 95.7

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCl)CCl

Technology Process of 4-(2-Chloroethyl)benzyl chloride

There total 3 articles about 4-(2-Chloroethyl)benzyl 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: 78.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-phenylethyl chloride (622-24-2) → 1-(2-chloroethyl)-4-(chloromethyl)benzene (53459-40-8)

Guidance literature:

With hydrogenchloride; sulfuric acid; zinc(II) chloride; In water; at 90 ℃; for 5h;

Reference yield:

2-phenylethanol (60-12-8) → 1-(2-chloroethyl)-4-(chloromethyl)benzene (53459-40-8)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / water / 8 h / 120 °C

2: hydrogenchloride; sulfuric acid; zinc(II) chloride / water / 5 h / 90 °C

With hydrogenchloride; sulfuric acid; zinc(II) chloride; In water;

Reference yield:

→ 1-(2-chloroethyl)-4-(chloromethyl)benzene (53459-40-8)

Guidance literature:

upstream raw materials:

formaldehyd

2-phenylethyl chloride

2-phenylethanol

Downstream raw materials:

4-(4-morpholinomethyl-phenethyl)-morpholine

1-(4-[2]thienylmethyl-phenethyl)-piperidine

4-[4-(2-chloro-ethyl)-benzyl]-anisole

1-(2-chloro-ethyl)-4-(2,4,6-trimethyl-benzyl)-benzene

Refernces