2,3,4,5,6-Pentafluorocinnamic acid

Base Information

• Chemical Name: 2,3,4,5,6-Pentafluorocinnamic acid
• CAS No.: 719-60-8
• Molecular Formula: C₉H₃F₅O₂
• Molecular Weight: 238.114
• Hs Code.: 29163900
• European Community (EC) Number: 623-139-4
• Nikkaji Number: J1.109.933E,J146.141I
• Wikidata: Q27460154
• Mol file: 719-60-8.mol

Synonyms:2,3,4,5,6-Pentafluorocinnamic acid;719-60-8;(E)-3-(perfluorophenyl)acrylic acid;(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid;Penta-Fluorocinnamic Acid;3-(pentafluorophenyl)prop-2-enoic acid;3-(Pentafluorophenyl)acrylic acid;34234-46-3;2-Propenoic acid, 3-(pentafluorophenyl)-, (E)-;Cinnamic acid, 2,3,4,5,6-pentafluoro-, (E)-;(2E)-3-(pentafluorophenyl)prop-2-enoic acid;(2E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid;IUUKDBLGVZISGW-OWOJBTEDSA-N;STR04906;MFCD00004371;AKOS005259534;AKOS025309985;BIM-0048028.P001;2,3,4,5,6-Pentafluoro-trans-cinnamic acid;CS-0266318;EN300-393111;AB00075397-01;EN300-1846673;2-Propenoic acid,3-(2,3,4,5,6-pentafluorophenyl)-;Q27460154;(2E)-3-(2,3,4,5,6-Pentafluorophenyl)-2-propenoic acid #

Chemical Property of 2,3,4,5,6-Pentafluorocinnamic acid

Chemical Property:

• Appearance/Colour: White to yellow crystalline powder
• Vapor Pressure: 0.0106mmHg at 25°C
• Melting Point: 154-156 °C(lit.)
• Boiling Point: 251.5 °C at 760 mmHg
• PKA: 3.84±0.24(Predicted)
• Flash Point: 105.9 °C
• PSA: 37.30000
• Density: 1.629 g/cm³
• LogP: 2.47990
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 238.00532014
• Heavy Atom Count: 16
• Complexity: 280

Purity/Quality:

99% ^*data from raw suppliers

2',3',4',5',6'-Pentafluorocinnamic acid 98% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,3,4,5,6-Pentafluorocinnamic acid

There total 5 articles about 2,3,4,5,6-Pentafluorocinnamic 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:

bromopentafluorobenzene (344-04-7) → pentafluorocinnamic acid (719-60-8,34234-46-3,79168-76-6)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Mg, (ii) /BRN= 636496/

2: Py

With pyridine;

DOI:10.1039/jr9610000808

Reference yield:

1,2,3,4,5-pentafluoro-6-iodobenzene (827-15-6) → pentafluorocinnamic acid (719-60-8,34234-46-3,79168-76-6)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Mg, (ii) /BRN= 906769/

2: Py

With pyridine;

DOI:10.1039/jr9610000808

Reference yield:

malonic acid (141-82-2) + perfluorobenzaldehyde (653-37-2) → pentafluorocinnamic acid (719-60-8,34234-46-3,79168-76-6)

Guidance literature:

With pyridine;

DOI:10.1039/jr9610000808

upstream raw materials:

malonic acid

perfluorobenzaldehyde

acetic anhydride

bromopentafluorobenzene

Downstream raw materials:

2,3,4,5,6-Pentafluor-zimtsaeure-(4-brom-phenacylester)

3-pentafluorophenylpropane-1-ol

2,3,4,5,6-pentafluorostyrene

tri-n-butyltin pentafluorocinnamate