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7-(Diethylamino)-4-(trifluoromethyl)coumarin

Catalog Number
ACM41934478-1
CAS Number
41934-47-8
Product Name
7-(Diethylamino)-4-(trifluoromethyl)coumarin
Structure
Category
Organic Light-Emitting Diode (OLED) Materials; Coumarin Dyes
Synonyms
Coumarin 481
IUPAC Name
7-(diethylamino)-4-(trifluoromethyl)chromen-2-one
Molecular Weight
285.27
Molecular Formula
C14H14F3NO2
Canonical SMILES
CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F
InChI
InChI=1S/C14H14F3NO2/c1-3-18(4-2)9-5-6-10-11(14(15,16)17)8-13(19)20-12(10)7-9/h5-8H,3-4H2,1-2H3
InChI Key
UIMOXRDVWDLOHW-UHFFFAOYSA-N
Melting Point
242 °C
Flash Point
167 °C
Purity
>98.0%(GC)
Appearance
Yellow to Brown to Dark green powder to crystal
Storage
Store under inert gas
Complexity
402
Covalently-Bonded Unit Count
1
EC Number
255-593-0
Exact Mass
285.097663g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
20
MDL Number
MFCD00057313
Monoisotopic Mass
285.097663g/mol
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Rotatable Bond Count
3
Signal Word
Warning
XLogP3
3.6
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