2H-1-Benzopyran-2-one, 7-(ethylamino)-6-methyl-4-(trifluoromethyl)-

Base Information

• Chemical Name: 2H-1-Benzopyran-2-one, 7-(ethylamino)-6-methyl-4-(trifluoromethyl)-
• CAS No.: 55804-70-1
• Deprecated CAS: 79818-53-4
• Molecular Formula: C13H12F3NO2
• Molecular Weight: 271.23
• Hs Code.: 29322010
• European Community (EC) Number: 259-828-8
• NSC Number: 338966
• UNII: 5QGX849ZTL
• DSSTox Substance ID: DTXSID9069055
• Nikkaji Number: J296.504F
• Wikidata: Q72461581
• ChEMBL ID: CHEMBL2007046
• Mol file: 55804-70-1.mol

Synonyms:coumarin 307;coumarin-307

Chemical Property of 2H-1-Benzopyran-2-one, 7-(ethylamino)-6-methyl-4-(trifluoromethyl)-

Chemical Property:

• Appearance/Colour: yellow to green cryst. powder or cryst. needles
• Vapor Pressure: 9.77E-05mmHg at 25°C
• Melting Point: 184 °C
• Refractive Index: 1.547
• Boiling Point: 338.5 °C at 760 mmHg
• PKA: 1.95±0.20(Predicted)
• Flash Point: 158.5 °C
• PSA: 42.24000
• Density: 1.353g/cm³
• LogP: 3.62500
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 271.08201311
• Heavy Atom Count: 19
• Complexity: 392

Purity/Quality:

>98% ^*data from raw suppliers

Coumarin307 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 37/39-26-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Dyes -> Coumarin Dyes
• Canonical SMILES: CCNC1=CC2=C(C=C1C)C(=CC(=O)O2)C(F)(F)F
• Uses: Coumarin 307 is a suitable candidate for use as a laser dye.