2,3,4-Trifluorocinnamic acid

Base Information

• Chemical Name: 2,3,4-Trifluorocinnamic acid
• CAS No.: 207742-85-6
• Molecular Formula: C9H5 F3 O2
• Molecular Weight: 202.133
• Hs Code.: 2916399090
• European Community (EC) Number: 671-771-4
• Nikkaji Number: J3.183.422H
• Wikidata: Q76310700
• Mol file: 207742-85-6.mol

Synonyms:2,3,4-Trifluorocinnamic acid;207742-85-6;3-(2,3,4-Trifluorophenyl)acrylic acid;(E)-3-(2,3,4-trifluorophenyl)prop-2-enoic acid;(2E)-3-(2,3,4-trifluorophenyl)prop-2-enoic acid;331776-45-5;2-Propenoic acid, 3-(2,3,4-trifluorophenyl)-;3-(2,3,4-trifluorophenyl)prop-2-enoic Acid;SCHEMBL1285273;MFCD00083552;AKOS009158420;AKOS025310000;3-(2,3,4-Trifluorophenyl)acrylicacid;JS-4128;CS-0161268;(E)-3-(2,3,4-trifluorophenyl)acrylic acid;EN300-1457017;EN300-1836549;J-013615

Chemical Property of 2,3,4-Trifluorocinnamic acid

Chemical Property:

• Vapor Pressure: 0.00273mmHg at 25°C
• Melting Point: 175-178oC
• Boiling Point: 273.8oC at 760 mmHg
• PKA: 4.13±0.15(Predicted)
• Flash Point: 119.4oC
• PSA: 37.30000
• Density: 1.468g/cm3
• LogP: 2.20170
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 202.02416388
• Heavy Atom Count: 14
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

2,3,4-TrifluorocinnamicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1C=CC(=O)O)F)F)F
• Isomeric SMILES: C1=CC(=C(C(=C1/C=C/C(=O)O)F)F)F