Propyl dichloroacetate

Base Information

• Chemical Name: Propyl dichloroacetate
• CAS No.: 37587-81-8
• Molecular Formula: C5H8 Cl2 O2
• Molecular Weight: 171.023
• Hs Code.: 2915400090
• European Community (EC) Number: 253-555-8
• UNII: CXR7Y955QE
• DSSTox Substance ID: DTXSID40191022
• Nikkaji Number: J191.423E
• Wikidata: Q83063503
• Mol file: 37587-81-8.mol

Synonyms:Propyl dichloroacetate;37587-81-8;Acetic acid, dichloro-, propyl ester;Dichloroacetic acid, propyl ester;CXR7Y955QE;Dichloroacetic acid propyl ester;EINECS 253-555-8;propyl 2,2-dichloroacetate;Propyl dichloroacetate #;UNII-CXR7Y955QE;1-Propanol, dichloroacetate;SCHEMBL7557055;dichloro-acetic acid propyl ester;DTXSID40191022;ACETIC ACID, 2,2-DICHLORO-, PROPYL ESTER

Chemical Property of Propyl dichloroacetate

Chemical Property:

• Vapor Pressure: 1.24mmHg at 25°C
• Boiling Point: 173.9°Cat760mmHg
• Flash Point: 64.6°C
• PSA: 26.30000
• Density: 1.241g/cm³
• LogP: 1.74330
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 169.9901349
• Heavy Atom Count: 9
• Complexity: 93

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)C(Cl)Cl

Technology Process of Propyl dichloroacetate

There total 10 articles about Propyl dichloroacetate 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%

propan-1-ol (71-23-8) + trichloroethylene epoxide (16967-79-6) → n-propyl dichloroacetate (37587-81-8)

Guidance literature:

at 0 ℃; for 0.333333h;

Reference yield:

propan-1-ol (71-23-8) + pentachloroacetone (1768-31-6) → chloroform (67-66-3,8013-54-5) + n-propyl dichloroacetate (37587-81-8)

Guidance literature:

With triethylamine; for 2h; Heating;

Reference yield:

Allyl acetate (591-87-7) → n-propyl dichloroacetate (37587-81-8)

Guidance literature:

upstream raw materials:

propan-1-ol

chloral hydrate

potassium cyanide

dichloro-acetic acid

Downstream raw materials:

Allyl acetate

Refernces

• 1、 -. "Process for producing dichloroacetoxypropane and derivatives thereof". . . Retrieved 2008/06/13.
• 2、 Voronina, T. A.,Fomina, N. V.,Suminov, S. I.. "REACTIVITY OF CHLOROSUBSTITUTED α-EPOXIDES AND SYNTHESES UNDER THESE COMPOUNDS". . p. 1059 - 1063. Retrieved 2007/10/02.