Butyl chloroacetate

Base Information

• Chemical Name: Butyl chloroacetate
• CAS No.: 590-02-3
• Molecular Formula: C6H11ClO2
• Molecular Weight: 150.605
• Hs Code.: 2915400000
• European Community (EC) Number: 209-670-0
• NSC Number: 1212
• UNII: 14HD7CFO3O
• DSSTox Substance ID: DTXSID5060437
• Nikkaji Number: J43.281D
• Wikidata: Q27251628
• Mol file: 590-02-3.mol

Synonyms:butyl 2-chloroacetate;Butyl chloroacetate;590-02-3;N-BUTYL CHLOROACETATE;Acetic acid, chloro-, butyl ester;Chloroacetic acid butyl ester;Chloroacetic acid n-butyl ester;n-Butyl-chloroacetate;Caswell No. 125J;UNII-14HD7CFO3O;14HD7CFO3O;HSDB 5703;NSC 1212;NSC-1212;EINECS 209-670-0;Acetic acid, 2-chloro-, butyl ester;AI3-18528;butylchloroacetate;butyl monochloroacetate;n-butyl 2-chloroacetate;butyl 2-chloranylethanoate;SCHEMBL140770;Chloroacetic acid, butyl ester;2-chloroacetic acid butyl ester;DTXSID5060437;NSC1212;Monochloroacetic acid n-butyl ester;2-Chloroacetic acid, n-butyl ester;STR06890;MFCD00018925;N-BUTYL CHLOROACETATE [HSDB];AKOS000120686;FT-0623299;EN300-20964;D89195;A832105;J-519957;Q27251628

Chemical Property of Butyl chloroacetate

Chemical Property:

• Vapor Pressure: 0.89mmHg at 25°C
• Refractive Index: 1.425
• Boiling Point: 180.6 °C at 760 mmHg
• Flash Point: 79.9 °C
• PSA: 26.30000
• Density: 1.057 g/cm³
• LogP: 1.56850
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 150.0447573
• Heavy Atom Count: 9
• Complexity: 83.1

Purity/Quality:

98%min ^*data from raw suppliers

Butyl Chloroacetate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 10-36/37/38-34
• Safety Statements: 16-26-36-45-36/37/39-23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Chloroacetic Acid Derivatives
• Canonical SMILES: CCCCOC(=O)CCl

Technology Process of Butyl chloroacetate

There total 10 articles about Butyl chloroacetate 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: 98.0%

chloroacetyl chloride (79-04-9) + butan-1-ol (71-36-3) → butyl chloroacetate (590-02-3)

Guidance literature:

With 1,1,1,3,3-pentafluoro-2,3-dichloropropane; at 60 - 80 ℃; for 9h;

Reference yield: 96.0%

chloroacetic acid (79-11-8) + butan-1-ol (71-36-3) → butyl chloroacetate (590-02-3)

Guidance literature:

F-4SK (H form); at 140 ℃; for 2h;

Reference yield: 75.0%

butyl glycolate (7397-62-8) → butyl chloroacetate (590-02-3)

Guidance literature:

With N,N-dimethyl-formamide; 2-Fluorobenzoyl chloride; In 1,4-dioxane; at 80 ℃; for 16h; Sealed tube;

upstream raw materials:

butyl methyl ether

chloro-acetyl iodide

glycine n-butyl ester

chloroacetic acid

Downstream raw materials:

benzyl-butoxycarbonylmethyl-dimethyl-ammonium; chloride

butyl butoxyacetate

cyanoacetic acid butyl ester

thiocyanato-acetic acid butyl ester

Refernces

• 1、 Barbosa-Filho, José M.,Brand?o, Maria Cláudia R.,Lima, Edeltrudes O.,Lira, Bruno F.,Neto, Hermes D.,Souza, Helivaldo D. S.,Trindade, Emmely O.,de Athayde-Filho, Petr?nio F.. "New Diesters Derived from Piperine: In silico Study and Evaluation of Their Antimicrobial Potential". . p. 1668 - 1678. Retrieved 2020/10/09.
• 2、 -. "Preparation method of novel thermosensitive ionic liquid and method for synthesizing chloracetate catalytically". Paragraph 0029. . Retrieved 2019/04/02.