2-Chloro-4-fluorocinnamic acid

Base Information

• Chemical Name: 2-Chloro-4-fluorocinnamic acid
• CAS No.: 133220-86-7
• Molecular Formula: C9H6ClFO2
• Molecular Weight: 200.597
• Hs Code.: 2916399090
• European Community (EC) Number: 681-104-9
• Wikidata: Q106902648
• Mol file: 133220-86-7.mol

Synonyms:2-Chloro-4-fluorocinnamic acid;133220-86-7;174603-37-3;(E)-3-(2-chloro-4-fluorophenyl)acrylic acid;3-(2-CHLORO-4-FLUOROPHENYL)-2-PROPENOIC ACID;(E)-3-(2-chloro-4-fluorophenyl)prop-2-enoic acid;(2E)-3-(2-chloro-4-fluorophenyl)prop-2-enoic acid;3-(2-chloro-4-fluorophenyl)prop-2-enoic acid;2-Propenoic acid, 3-(2-chloro-4-fluorophenyl)-;2-Propenoic acid, 3-(2-chloro-4-fluorophenyl)-, (2E)-;2-Chloro-4-fluorocinnamicacid;MFCD00236027;SCHEMBL1167315;SCHEMBL1167316;AMY6370;RJCWBTRMWGOREZ-DUXPYHPUSA-N;ZGA60337;AKOS015889749;AKOS025310213;AS-66903;BS-15588;(E)-3-(2-chloro-4-fluorophenyl)acrylicacid;CS-0128426;(E)-3-(2-chloro-4-fluoro-phenyl)-acrylic acid;EN300-1456970;EN300-1967414;(2E)-3-(2-chloro-4-fluorophenyl)-2-propenoic acid

Chemical Property of 2-Chloro-4-fluorocinnamic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.029mmHg at 25°C
• Melting Point: 245-247 °C
• Refractive Index: 1.337
• Boiling Point: 312.813 °C at 760 mmHg
• Flash Point: 142.985 °C
• PSA: 37.30000
• Density: 1.421 g/cm³
• LogP: 2.57690
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 200.0040353
• Heavy Atom Count: 13
• Complexity: 218

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-4-fluorocinnamicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)Cl)C=CC(=O)O
• Isomeric SMILES: C1=CC(=C(C=C1F)Cl)/C=C/C(=O)O

Technology Process of 2-Chloro-4-fluorocinnamic acid

There total 2 articles about 2-Chloro-4-fluorocinnamic acid 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: 75.0%

2-chloro-5-nitrocinnamic acid (36015-19-7) → 3-(2-chloro-4-fluorophenyl)-2-propenoic acid (133220-86-7)

Guidance literature:

Reference yield:

malonic acid (141-82-2) + 2-chloro-4-fluorobenzaldehyde (84194-36-5) → 3-(2-chloro-4-fluorophenyl)-2-propenoic acid (133220-86-7)

Guidance literature:

With piperidine; pyridine; for 20h; Reflux;

DOI:10.1016/j.bmc.2016.02.017

Reference yield: 91.0%

3-(2-chloro-4-fluorophenyl)-2-propenoic acid (133220-86-7) → (E)-3-(2-chloro-4-fluorophenyl)prop-2-en-1-ol (1250869-31-8)

Guidance literature:

3-(2-chloro-4-fluorophenyl)-2-propenoic acid; With chloroformic acid ethyl ester; triethylamine; In tetrahydrofuran; at -7 ℃; Inert atmosphere;

With sodium tetrahydroborate; In tetrahydrofuran; methanol; at -7 - 0 ℃; for 16.6667h;

DOI:10.1002/adsc.201000213

upstream raw materials:

2-chloro-5-nitrocinnamic acid

malonic acid

2-chloro-4-fluorobenzaldehyde

Downstream raw materials:

(E)-3-(2-chloro-4-fluorophenyl)prop-2-en-1-ol

Refernces

• 1、 -. "Herbicidal cinnamic ester uracils". . . Retrieved 2008/06/13.