2,5-Bis(trifluoromethyl)hydrocinnamic acid

Base Information

• Chemical Name: 2,5-Bis(trifluoromethyl)hydrocinnamic acid
• CAS No.: 302912-03-4
• Molecular Formula: C11H8 F6 O2
• Molecular Weight: 286.17
• Hs Code.: 2916399090
• European Community (EC) Number: 685-904-9
• DSSTox Substance ID: DTXSID90403384
• Wikidata: Q72447171
• Mol file: 302912-03-4.mol

Synonyms:302912-03-4;2,5-Bis(trifluoromethyl)hydrocinnamic acid;3-(2,5-Bis(trifluoromethyl)phenyl)propanoic acid;3-[2,5-bis(trifluoromethyl)phenyl]propanoic Acid;Benzenepropanoic acid, 2,5-bis(trifluoromethyl)-;3-(2,5-Bis(trifluoromethyl)phenyl)propanoicacid;SCHEMBL1207452;DTXSID90403384;AKOS015852777;2 5-BIS(TRIFLUOROMETHYL)HYDROCINNAMIC;CS-0450707;2,5-Bis(trifluoromethyl)hydrocinnamic acid, 97%;3-(2,5-bis(trifluoromethyl)phenyl)propionic acid;3-[2,5-bis(trifluoromethyl)-phenyl]-propionic acid;A1-37851;J-017868

Chemical Property of 2,5-Bis(trifluoromethyl)hydrocinnamic acid

Chemical Property:

• Vapor Pressure: 0.00382mmHg at 25°C
• Melting Point: 33-43 °C(lit.)
• Refractive Index: 1.431
• Boiling Point: 268℃
• PKA: 4.43±0.10(Predicted)
• Flash Point: 116℃
• PSA: 37.30000
• Density: 1.427
• LogP: 3.74140
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 286.04284847
• Heavy Atom Count: 19
• Complexity: 322

Purity/Quality:

98%Min ^*data from raw suppliers

2,5-Bis(trifluoromethyl)hydrocinnamic acid 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20-36/37/38-40-22
• Safety Statements: 7-26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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