Phenyl 4-chlorobutyrate

Base Information

• Chemical Name: Phenyl 4-chlorobutyrate
• CAS No.: 54839-22-4
• Molecular Formula: C10H11ClO2
• Molecular Weight: 198.649
• Hs Code.: 2915900090
• European Community (EC) Number: 259-369-3
• NSC Number: 163393
• DSSTox Substance ID: DTXSID80203330
• Nikkaji Number: J326.696F
• Wikidata: Q83076699
• Mol file: 54839-22-4.mol

Synonyms:Phenyl 4-chlorobutyrate;phenyl 4-chlorobutanoate;54839-22-4;EINECS 259-369-3;4-CHLOROBUTYRIC ACID PHENYL ESTER;SCHEMBL11513557;DTXSID80203330;4-Chlorobutyric acid, phenyl ester;NSC163393;AKOS005287861;NSC 163393;NSC-163393;FT-0618203

Chemical Property of Phenyl 4-chlorobutyrate

Chemical Property:

• Vapor Pressure: 0.00175mmHg at 25°C
• Boiling Point: 293.2°C at 760 mmHg
• Flash Point: 143.7°C
• PSA: 26.30000
• Density: 1.158g/cm³
• LogP: 2.61100
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

PHENYL 4-CHLOROBUTYRATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC(=O)CCCCl

Technology Process of Phenyl 4-chlorobutyrate

There total 2 articles about Phenyl 4-chlorobutyrate 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: 85.0%

4-Chlorobutanoyl chloride (4635-59-0) + phenol (108-95-2,27073-41-2) → phenyl 4-chlorobutanoate (54839-22-4)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; for 3h;

DOI:10.1002/adsc.201400480

Reference yield:

→ phenyl 4-chlorobutanoate (54839-22-4)

Guidance literature:

Phenol, Cl-(CH2)3-COCl;

upstream raw materials:

4-Chlorobutanoyl chloride

phenol

Refernces