Product Name
1,2-Benzofluorene
Category
Heterocyclic Organic Compound
Description
COLOURLESS PLATE-LIKE CRYSTALS.
IUPAC Name
11H-benzo[a]fluorene
Molecular Weight
216.28g/mol
Molecular Formula
C17H12;C17H12
Canonical SMILES
C1C2=CC=CC=C2C3=C1C4=CC=CC=C4C=C3
InChI
InChI=1S/C17H12/c1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16/h1-10H,11H2
InChI Key
HKMTVMBEALTRRR-UHFFFAOYSA-N
Boiling Point
405.0 °C;405 °C;399 °C
Melting Point
189.5 °C;189.6 °C;189 °C
Solubility
2.10e-07 M;In water, 0.045 mg/L at 25 °C;Slightly soluble in ethanol; soluble in ether, benzene, chloroform;Solubility in water: very poor
Color/Form
White or off-white powder;Platelets from acetone or acetic acid;Colorless plate like crystals;Beige powder[Sigma-Aldrich; Product Information for 11H-Benzo
Covalently-Bonded Unit Count
1
Decomposition
When heated to decomposition it emits acrid smoke and irritating vapors.
EC Number
205-944-9;250-335-3
Heat of Vaporization
Enthalpy of vaporization: 83.7 kJ/mol at 398 K
LogP
5.4 (LogP);log Kow = 5.68;5.32
Monoisotopic Mass
216.0939g/mol
Other Experimental
Enthalpy of sublimation: 105.4 kJ/mol at 383 K; Enthalpy of fusion: 18.4 kJ/mol at 462.8 K;Henry's Law constant = 1.54X10-6 atm-cu m/mole at 25 °C (estimated from vapor pressure and water solubility);Hydroxyl radical reaction rate constant = 4.7X10-11 cu-cm/molc sec at 25 °C
Stability
Stable under recommended storage conditions.[Sigma-Aldrich; Safety Data Sheet for 11H-Benzo
Vapor Pressure
2.43e-07 mmHg;2.43X10-7 mm Hg at 25 °C
Download
