3-Chlorofuran

Base Information

• Chemical Name: 3-Chlorofuran
• CAS No.: 50689-17-3
• Molecular Formula: C4H3 Cl O
• Molecular Weight: 102.52
• European Community (EC) Number: 256-715-5
• DSSTox Substance ID: DTXSID90198728
• Nikkaji Number: J261.594K
• Wikidata: Q83071554
• Mol file: 50689-17-3.mol

Synonyms:3-Chlorofuran;50689-17-3;Furan, 3-chloro-;EINECS 256-715-5;3-chloro-furan;3-Chlorfuran;C4H3ClO;C4-H3-Cl-O;SCHEMBL826629;DTXSID90198728;GEO-03997;MFCD12828427

Chemical Property of 3-Chlorofuran

Chemical Property:

• Vapor Pressure: 105mmHg at 25°C
• Refractive Index: 1.4601 (estimate)
• Boiling Point: 77.9°C at 760 mmHg
• Flash Point: 0.9°C
• PSA: 13.14000
• Density: 1.217g/cm³
• LogP: 1.93300
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 101.9872424
• Heavy Atom Count: 6
• Complexity: 46.8

Purity/Quality:

98%Min ^*data from raw suppliers

3-Chlorofuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC=C1Cl

Technology Process of 3-Chlorofuran

There total 6 articles about 3-Chlorofuran 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: 92.0%

3-chlorofuran-2-carboxylic acid (66204-31-7) → 3-chlorofuran (50689-17-3)

Guidance literature:

With formic acid; In N,N-dimethyl-formamide; at 100 - 105 ℃; for 8h; Green chemistry;

Reference yield: 44.7%

3-bromofurane (22037-28-1) → 3-chlorofuran (50689-17-3)

Guidance literature:

3-bromofurane; In tetrahydrofuran; diethyl ether; at -78 ℃; for 0.333333h;

With n-butyllithium; In pentane; at -78 ℃; for 0.5h;

With hexachloroethane; In tetrahydrofuran; at -78 - 20 ℃; for 3h;

DOI:10.1021/jm050292k

Reference yield:

3-bromofurane (22037-28-1) + hexachloroethane (67-72-1) → 3-chlorofuran (50689-17-3)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; 1-penten;

upstream raw materials:

3-bromofurane

hexachloroethane

3-chlorofuran-2-carboxylic acid

Downstream raw materials:

3-acetylfuran

4,4'-dichlorodiphenyl sulphone

3,4’-dichlorodiphenylsulfone

trans-3-furan-3-yl-acrylic acid ethyl ester