2-Fluoro-5-(trifluoromethyl)cinnamic acid

Base Information

• Chemical Name: 2-Fluoro-5-(trifluoromethyl)cinnamic acid
• CAS No.: 247113-91-3
• Molecular Formula: C10H6 F4 O2
• Molecular Weight: 234.15
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID20420680
• Wikidata: Q82231989
• Mol file: 247113-91-3.mol

Synonyms:2-Fluoro-5-(trifluoromethyl)cinnamic acid;247113-91-3;3-(2-fluoro-5-(trifluoromethyl)phenyl)acrylic acid;(E)-3-[2-fluoro-5-(trifluoromethyl)phenyl]prop-2-enoic acid;1413913-80-0;(2E)-3-[2-fluoro-5-(trifluoromethyl)phenyl]prop-2-enoic acid;(e)-3-(2-fluoro-5-(trifluoromethyl)phenyl)acrylic acid;SCHEMBL7814628;3-[2-fluoro-5-(trifluoromethyl)phenyl]prop-2-enoic Acid;DTXSID20420680;AUPRFUNTWIUZEA-DAFODLJHSA-N;MFCD00236293;AKOS015854255;PS-7671;2-FLUORO-5-(TRIFLUOROMETHYL)CINNAMICACID;EN300-1457060;3-(2-fluoro-5-(trifluoromethyl)phenyl)acrylicacid;A817455;3-(2-fluoro-5-trifluoromethyl-phenyl)-acrylic acid;2-Propenoic acid, 3-[2-fluoro-5-(trifluoromethyl)phenyl]-;(E)-3-[2-fluoro-5-(trifluoromethyl)phenyl]-2-propenoic acid;(E)-3-[2-fluoranyl-5-(trifluoromethyl)phenyl]prop-2-enoic acid

Chemical Property of 2-Fluoro-5-(trifluoromethyl)cinnamic acid

Chemical Property:

• Vapor Pressure: 0.00167mmHg at 25°C
• Melting Point: 118-121°C
• Refractive Index: 1.51
• Boiling Point: 281.6°Cat760mmHg
• Flash Point: 124.1°C
• PSA: 37.30000
• Density: 1.438g/cm³
• LogP: 2.94230
• Storage Temp.: 2-8°C
• 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:

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

2-Fluoro-5-(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=C1C(F)(F)F)C=CC(=O)O)F
• Isomeric SMILES: C1=CC(=C(C=C1C(F)(F)F)/C=C/C(=O)O)F