2,6-Difluorocinnamic acid

Base Information

• Chemical Name: 2,6-Difluorocinnamic acid
• CAS No.: 102082-89-3
• Molecular Formula: C9H6F2O2
• Molecular Weight: 184.14
• Hs Code.: 29163990
• European Community (EC) Number: 621-995-3
• Nikkaji Number: J1.406.449D
• Wikidata: Q76305625
• Mol file: 102082-89-3.mol

Synonyms:2,6-Difluorocinnamic acid;102082-89-3;trans-2,6-Difluorocinnamic acid;152152-09-5;(E)-3-(2,6-difluorophenyl)acrylic acid;(E)-3-(2,6-difluorophenyl)prop-2-enoic acid;3-(2,6-difluorophenyl)acrylic acid;2,6-Difluorocinnamicacid;2-Propenoic acid, 3-(2,6-difluorophenyl)-, (2E)-;(2E)-3-(2,6-difluorophenyl)prop-2-enoic acid;3-(2,6-difluorophenyl)prop-2-enoic acid;MFCD00010319;(2E)-3-(2,6-difluorophenyl)acrylic acid;E-2,6-difluorocinnamic acid;SCHEMBL1226433;SCHEMBL1226435;(E)-2,6-difluorocinnamic acid;2,6-Difluoro-trans-cinnamic acid;CK2543;AKOS000141830;AKOS025311058;PS-6474;trans-2,6-Difluorocinnamic acid, 99%;trans-3-(2,6-Difluorophenyl)acrylic Acid;A1825;CS-0099948;CS-0356724;D4115;EN300-37196;EN300-364729;(2E)-3-(2,6-Difluorophenyl)-2-propenoic acid;A884036;AT-419/43492647;(2E)-3-(2,6-Difluorophenyl)-2-propenoic acid #;J-501872;Z2942853224;2,6-Difluorocinnamic acid-3,4-bis(2,6-difluorophenyl)cyclobutane-1,2-dicarboxylic acid (0.858/0.071)

Chemical Property of 2,6-Difluorocinnamic acid

Chemical Property:

• Appearance/Colour: light beige crystalline powder
• Vapor Pressure: 0.00306mmHg at 25°C
• Melting Point: 124-125 °C(lit.)
• Boiling Point: 272 °C at 760 mmHg
• PKA: 4.17±0.16(Predicted)
• Flash Point: 118.3 °C
• PSA: 37.30000
• Density: 1.379 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:

98%,99%, ^*data from raw suppliers

2,6-Difluorocinnamicacid ^*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=CC(=C(C(=C1)F)C=CC(=O)O)F
• Isomeric SMILES: C1=CC(=C(C(=C1)F)/C=C/C(=O)O)F