9-phenylanthracene

• ChemBase ID: 90489
• Molecular Formular: C20H14
• Molecular Mass: 254.32516
• Monoisotopic Mass: 254.10955045
• SMILES: c1ccc2c(c1)c(c1c(c2)cccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1c2ccccc2cc2c1cccc2
• InChI: InChI=1S/C20H14/c1-2-8-15(9-3-1)20-18-12-6-4-10-16(18)14-17-11-5-7-13-19(17)20/h1-14H
• InChIKey: LUBXLGUQZVKOFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-phenylanthracene
• IUPAC Traditional name: 9-phenylanthracene
• Synonyms: 9-Phenylanthracene; 9-Phenylanthracene; NSC 90796; 9-苯基蒽

Database IDs

• CAS Number: 602-55-1
• EC Number: 210-019-8
• MDL Number: MFCD00001252
• Beilstein Number: 1910570
• PubChem SID: 162077289; 24898246; 24869415
• PubChem CID: 11766

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.599425
• LogD (pH = 7.4): 5.599425
• Log P: 5.599425
• Molar Refractivity: 84.0946 cm^3
• Polarizability: 36.935463 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Diethyl Ether
• Apperance: Pale Yellow Plates
• Melting Point: 152-156°C; 153-155 °C(lit.); 153-155°C
• Boiling Point: 417 °C(lit.); 417°C; 417°C

Safety Information

• Storage Warning: Harmful
• European Hazard Symbols: Nature polluting (N)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 50/53
• Safety Statements: 60-61
• GHS Pictograms: GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H410
• GHS Precautionary statements: P273-P501
• Personal Protective Equipment: Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 98%
• Grade: analytical standard, for environmental analysis
• Empirical Formula (Hill Notation): C20H14

DETAILS

MP Biomedicals - 05212134

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P18004

Packaging
1, 5 g in glass bottle