4-Fluoro-2-(trifluoromethyl)cinnamic acid

Base Information

• Chemical Name: 4-Fluoro-2-(trifluoromethyl)cinnamic acid
• CAS No.: 243977-21-1
• Molecular Formula: C₁₀H₆F₄O₂
• Molecular Weight: 234.15
• Hs Code.: 2916399090
• European Community (EC) Number: 671-888-0
• Wikidata: Q76310545
• Mol file: 243977-21-1.mol

Synonyms:4-Fluoro-2-(trifluoromethyl)cinnamic acid;243977-21-1;(E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoic acid;280753-26-6;4-FLUORO-2-(TRIFLUOROMETHYL)CINNAMICACID;(2E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoic acid;3-(4-Fluoro-2-(trifluoromethyl)phenyl)acrylic acid;(e)-3-(4-fluoro-2-(trifluoromethyl)phenyl)acrylic acid;SCHEMBL1950607;OREHSCSLACWBTF-DUXPYHPUSA-N;MFCD00236297;AKOS015853463;PS-7672;CS-0269257;EN300-1932811;A817274;A867661;(E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propenoic acid

Chemical Property of 4-Fluoro-2-(trifluoromethyl)cinnamic acid

Chemical Property:

• Vapor Pressure: 0.00386mmHg at 25°C
• Melting Point: 181-183°C
• Refractive Index: 1.51
• Boiling Point: 268.2°Cat760mmHg
• Flash Point: 116°C
• PSA: 37.30000
• Density: 1.438g/cm³
• LogP: 2.94230
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 234.03039208
• Heavy Atom Count: 16
• Complexity: 285

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoro-2-(trifluoromethyl)cinnamicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Fluoro-2-(trifluoromethyl)cinnamic acid

There total 1 articles about 4-Fluoro-2-(trifluoromethyl)cinnamic 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: 49.0%

malonic acid (141-82-2) + 2-(trifluoromethyl)-4-fluorobenzaldehyde (90176-80-0) → 3-(4-fluoro-2-trifluoromethyl-phenyl)-acrylic acid (280753-26-6,243977-21-1)

Guidance literature:

With pyridine; piperidine; for 3h; Heating / reflux;

upstream raw materials:

malonic acid

2-(trifluoromethyl)-4-fluorobenzaldehyde

Refernces