1,2-Benzofluorene

• CAS: 238-84-6
• Catalog Number: ACM238846
• Category: Other Products
• Molecular Weight: 216.28g/mol
• Molecular Formula: C17H12;C17H12
• Description: COLOURLESS PLATE-LIKE CRYSTALS.
• IUPAC Name: 11H-benzo[a]fluorene
• 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
• Complexity: 282
• 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
• Exact Mass: 216.0939g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heat of Vaporization: Enthalpy of vaporization: 83.7 kJ/mol at 398 K
• Heavy Atom Count: 17
• ICSC Number: 1453
• LogP: 5.4 (LogP);log Kow = 5.68;5.32
• Monoisotopic Mass: 216.0939g/mol
• NSC Number: 89262
• 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
• Rotatable Bond Count: 0
• Stability: Stable under recommended storage conditions.[Sigma-Aldrich; Safety Data Sheet for 11H-Benzo
• UNII: 65EP6ZT62K
• Vapor Pressure: 2.43e-07 mmHg;2.43X10-7 mm Hg at 25 °C
• XLogP3: 5.7