NAVIGATION


9-Fluorenone

Catalog Number
ACM486259
CAS Number
486-25-9
Product Name
9-Fluorenone
Structure
Category
Small Molecule Semiconductor Building Blocks; Electroluminescence Materials; Organic Light-Emitting Diode (OLED) Materials
Synonyms
9H-Fluoren-9-one
IUPAC Name
fluoren-9-one
Molecular Weight
180.20
Molecular Formula
C13H8O
Canonical SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2=O
InChI
InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H
InChI Key
YLQWCDOCJODRMT-UHFFFAOYSA-N
Boiling Point
341.5 °C;341.5 °C @ 760 MM HG
Melting Point
84.0 °C;84 °C
Flash Point
163°C
Density
1.1300 @ 99 °C/4 °C
Solubility
INSOL IN WATER; SOL IN ALCOHOL, ACETONE, BENZENE; VERY SOL IN ETHER, TOLUENE, HOT BENZENE;Insoluble in water. Soluble in oxygenated and aromatic solvents
Color/Form
YELLOW RHOMBIC BIPYRAMIDAL CRYSTALS FROM ALCOHOL, BENZENE-PETROLEUM ETHER
Complexity
222
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
EC Number
207-630-7
Exact Mass
180.0575
Formal Charge
0
Hazard Statements
Xi
Heavy Atom Count
14
Hydrogen Bond Acceptor Count
1
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Log P
3.58 (LogP);Log Kow = 3.58
MeSH Entry Terms
9-fluorenone;fluoren-9-one
Monoisotopic Mass
180.0575
NSC Number
5181
Refractive Index
INDEX OF REFRACTION: 1.6369 @ 99 °C/D; SADTLER REFERENCE NUMBER: 7390 (IR, PRISM); MAX ABSORPTION (DIOXANE): 258 NM (LOG E= 4.90), 294 NM (LOG E= 3.62), 328 NM (LOG E= 2.89), 378 NM (LOG E= 2.43)
Rotatable Bond Count
0
Safety Description
24/25-36/37/39-27-26
Topological Polar Surface Area
17.1 Ų
UNII
AZ9T83S2AQ
XLogP3
3.6
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