2,3,6-Trifluorocinnamic acid

Base Information

• Chemical Name: 2,3,6-Trifluorocinnamic acid
• CAS No.: 230295-12-2
• Molecular Formula: C9H5F3O2
• Molecular Weight: 202.13000
• Hs Code.: 2916399090
• European Community (EC) Number: 671-788-7
• DSSTox Substance ID: DTXSID60420765
• Wikidata: Q76310709
• Mol file: 230295-12-2.mol

Synonyms:2,3,6-Trifluorocinnamic acid;230295-12-2;3-(2,3,6-Trifluorophenyl)acrylic acid;(E)-3-(2,3,6-trifluorophenyl)prop-2-enoic acid;1430115-89-1;(2E)-3-(2,3,6-trifluorophenyl)prop-2-enoic acid;3-(2,3,6-trifluorophenyl)prop-2-enoic Acid;2-Propenoic acid, 3-(2,3,6-trifluorophenyl)-;2,3,6-Trifluorocinnamicacid;SCHEMBL1124592;DTXSID60420765;MFCD00061213;AKOS015854253;3-(2,3,6-Trifluorophenyl)acrylicacid;JS-4093;CS-0161267;(E)-3-(2,3,6-trifluorophenyl)acrylic acid;N12056;EN300-1827214;A816500

Chemical Property of 2,3,6-Trifluorocinnamic acid

Chemical Property:

• Vapor Pressure: 0.00325mmHg at 25°C
• Boiling Point: 271oC at 760 mmHg
• PKA: 4.02±0.18(Predicted)
• Flash Point: 117.7oC
• 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:

98%min ^*data from raw suppliers

2,3,6-TrifluorocinnamicAcid ^*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(=C1F)C=CC(=O)O)F)F
• Isomeric SMILES: C1=CC(=C(C(=C1F)/C=C/C(=O)O)F)F