3,5-Difluorocinnamic acid

Base Information

• Chemical Name: 3,5-Difluorocinnamic acid
• CAS No.: 147700-58-1
• Molecular Formula: C9H6F2O2
• Molecular Weight: 184.14
• Hs Code.: 2916399090
• European Community (EC) Number: 624-665-7,805-799-7
• Nikkaji Number: J1.406.450H,J267.466A
• Wikidata: Q76305729
• Mol file: 147700-58-1.mol

Synonyms:3,5-Difluorocinnamic acid;trans-3,5-Difluorocinnamic acid;84315-23-1;147700-58-1;(E)-3-(3,5-difluorophenyl)acrylic acid;3,5-Difluorocinnamicacid;3-(3,5-Difluorophenyl)acrylic acid;(2E)-3-(3,5-difluorophenyl)prop-2-enoic acid;2-Propenoic acid, 3-(3,5-difluorophenyl)-, (2E)-;(E)-3-(3,5-difluorophenyl)prop-2-enoic acid;trans-3-(3,5-Difluorophenyl)acrylic Acid;3-(3,5-difluorophenyl)prop-2-enoic acid;MFCD00010321;(2E)-3-(3,5-difluorophenyl)acrylic acid;3-(3,5-difluorophenyl)propenoic acid;trans-3,5-Difluorocinnamicacid;(2E)-3-(3,5-Difluorophenyl)-2-propenoic acid;AMY2995;3,5-Difluoro-trans-cinnamic acid;CK2544;AKOS015852996;PS-6476;trans-3,5-Difluorocinnamic acid, 99%;AS-61742;(trans)-3-(3,5-difluorophenyl)acrylic acid;CS-0031469;D4156;EN300-86542;F81439;EN300-1453715;AT-419/43492646;(2E)-3-(3,5-Difluorophenyl)-2-propenoic acid #;J-008394

Chemical Property of 3,5-Difluorocinnamic acid

Chemical Property:

• Melting Point: 204-205 °C(lit.)
• Boiling Point: 272 °C at 760 mmHg
• PKA: 4.15±0.10(Predicted)
• Flash Point: 118.3 °C
• PSA: 37.30000
• Density: 1.11 g/cm³
• LogP: 2.06260
• Solubility.: soluble in Methanol
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 184.03358575
• Heavy Atom Count: 13
• Complexity: 206

Purity/Quality:

99% ^*data from raw suppliers

trans-3,5-Difluorocinnamic acid ^*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: C1=C(C=C(C=C1F)F)C=CC(=O)O
• Isomeric SMILES: C1=C(C=C(C=C1F)F)/C=C/C(=O)O
• Uses: 3,5-Difluorocinnamic acid has been used in the synthesis of “unnatural” flavonoids and stilbenes in Escherichia coli.