2-fluoronaphthalene

• ChemBase ID: 94796
• Molecular Formular: C10H7F
• Molecular Mass: 146.1609832
• Monoisotopic Mass: 146.05317844
• SMILES: Fc1cc2ccccc2cc1
• Canonical SMILES: Fc1ccc2c(c1)cccc2
• InChI: InChI=1S/C10H7F/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
• InChIKey: BAGQBTMEEISJLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoronaphthalene
• IUPAC Traditional name: naphthalene, 2-fluoro-
• Synonyms: 2-Fluoronaphthalene; 2-Fluoronaphthalene; 2-氟萘

Database IDs

• CAS Number: 323-09-1
• EC Number: 206-299-6
• MDL Number: MFCD00082618
• PubChem SID: 162081450
• PubChem CID: 67583

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1054244
• LogD (pH = 7.4): 3.1054244
• Log P: 3.1054244
• Molar Refractivity: 42.7246 cm^3
• Polarizability: 17.524582 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 211°C
• Flash Point: 149 °F; 65 °C; 65°C
• Partition Coefficient: 3.318

Safety Information

• Storage Warning: Harmful/Flammable
• European Hazard Symbols: Harmful (Xn)
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 3
• Risk Statements: 22-36
• Safety Statements: 24/25
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 1325 4.1/PG 3

Product Information

• Purity: 95+%
• Grade: analytical standard
• Packaging: ampule of 100 mg