9-iodophenanthrene

• ChemBase ID: 146000
• Molecular Formular: C14H9I
• Molecular Mass: 304.12573
• Monoisotopic Mass: 303.97489829
• SMILES: c1ccc2c(c1)cc(c1c2cccc1)I
• Canonical SMILES: Ic1cc2ccccc2c2c1cccc2
• InChI: InChI=1S/C14H9I/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
• InChIKey: CBFIPOTVFMLMFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-iodophenanthrene
• IUPAC Traditional name: 9-iodophenanthrene
• Synonyms: 9-Iodophenanthrene; 9-碘菲

Database IDs

• CAS Number: 17024-12-3
• MDL Number: MFCD00192230
• PubChem SID: 24864276; 162240200
• PubChem CID: 259286

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.8811436
• LogD (pH = 7.4): 4.8811436
• Log P: 4.8811436
• Molar Refractivity: 72.3209 cm^3
• Polarizability: 30.22392 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91-93 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C14H9I

DETAILS

Sigma Aldrich - 389358

Packaging
1 g in glass bottle