(2H10)fluoranthene

• ChemBase ID: 151664
• Molecular Formular: C16H10
• Molecular Mass: 202.2506
• Monoisotopic Mass: 202.07825032
• SMILES: c1ccc2c(c1)c1cccc3c1c2ccc3
• Canonical SMILES: c1ccc2c(c1)c1cccc3c1c2ccc3
• InChI: InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H
• InChIKey: GVEPBJHOBDJJJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₁₀)fluoranthene
• IUPAC Traditional name: (^2H₁₀)fluoranthene
• Synonyms: Fluoranthene-d10; 荧蒽-d10

Database IDs

• CAS Number: 93951-69-0
• MDL Number: MFCD00144312
• PubChem SID: 162245814; 24868020; 24869152
• PubChem CID: 185309

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2839274
• LogD (pH = 7.4): 4.2839274
• Log P: 4.2839274
• Molar Refractivity: 66.7226 cm^3
• Polarizability: 30.078028 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110-113 °C(lit.)
• Boiling Point: 384 °C(lit.)
• Flash Point: 198 °C; 388.4 °F
• Mass Shift: M+10

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302

Product Information

• Grade: analytical standard
• Isotopic Purity: 98 atom % D
• Packaging: ampule of 50 mg
• Mol. Weight: mol wt 212.21 by atom % calculation
• Empirical Formula (Hill Notation): C16D10

DETAILS

Sigma Aldrich - 456292

Packaging
100 mg in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.