2-[4-(Trifluoromethoxy)phenyl]propanedial

Base Information

• Chemical Name: 2-[4-(Trifluoromethoxy)phenyl]propanedial
• CAS No.: 493036-48-9
• Molecular Formula: C10H7F3O3
• Molecular Weight: 232.16
• Hs Code.: 2924190090
• European Community (EC) Number: 942-848-2
• DSSTox Substance ID: DTXSID20392196
• Wikidata: Q82190206
• Mol file: 493036-48-9.mol

Synonyms:493036-48-9;2-[4-(trifluoromethoxy)phenyl]propanedial;2-(4-Trifluoromethoxyphenyl)malondialdehyde;2-(4-(Trifluoromethoxy)phenyl)malonaldehyde;2-[4-(Trifluoromethoxy)phenyl]malonaldehyde;Propanedial,2-[4-(trifluoromethoxy)phenyl]-;2-(4-Trifluoromethoxyphenyl)malonaldehyde;SCHEMBL15332685;DTXSID20392196;MFCD03424495;AKOS025310211;FT-0644743;2-[4-(Trifluoromethoxy)phenyl]malondialdehyde;A827698

Chemical Property of 2-[4-(Trifluoromethoxy)phenyl]propanedial

Chemical Property:

• Vapor Pressure: 0.000169mmHg at 25°C
• Melting Point: 96-98°C
• Refractive Index: 1.499
• Boiling Point: 244 °C at 760 mmHg
• PKA: 3.34±0.59(Predicted)
• Flash Point: 98.5 °C
• PSA: 43.37000
• Density: 1.33 g/cm³
• LogP: 2.06660
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 232.03472857
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-Trifluoromethoxyphenyl)malonaldehyde ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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