1-fluoronaphthalene

• ChemBase ID: 7788
• Molecular Formular: C10H7F
• Molecular Mass: 146.1609832
• Monoisotopic Mass: 146.05317844
• SMILES: Fc1c2c(ccc1)cccc2
• Canonical SMILES: Fc1cccc2c1cccc2
• InChI: InChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
• InChIKey: CWLKTJOTWITYSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoronaphthalene
• IUPAC Traditional name: 1-fluoronaphthalene
• Synonyms: 1-Fluoronaphthalene; NSC 4690; α-Fluoronaphthalene; Duloxetine USP Impurity G; 1-Fluoronaphthalene; 1-Fluoronaphthalene 99%; 1-氟萘

Database IDs

• CAS Number: 321-38-0
• EC Number: 206-287-0
• MDL Number: MFCD00003873
• Beilstein Number: 1906413
• PubChem SID: 160971095; 24867766; 24851780
• PubChem CID: 9450

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: 17.529308 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Clear Yellow Oil
• Melting Point: -10°C; -13 °C(lit.); -13°C; -9°C
• Boiling Point: 215 °C(lit.); 215°C; 215-217°C; 215-217°C
• Flash Point: 149 °F; 65 °C; 65°C; 65°C(149°F)
• Density: 1.13 g/ml; 1.1322 g/mL at 20 °C(lit.); 1.331; 1.332
• Refractive Index: 1.593; 1.5930; n20/D 1.593; n20/D 1.593(lit.)

Safety Information

• Storage Condition: Refrigerator; Room Temperature (15-30°C)
• Storage Warning: IRRITANT; Irritant
• RTECS: QJ7100000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: true; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥99.0% (GC); 98%; 99%
• Grade: analytical standard; puriss.
• Packaging: ampule of 1000 mg
• Empirical Formula (Hill Notation): C10H7F

DETAILS

MP Biomedicals - 02158119

1 ml = approx. 1.13 g

MP Biomedicals - 05205901

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 196657

Packaging
5, 25 g in glass bottle

Toronto Research Chemicals - F593760

A fluorinated naphthalene derivative that is metabolized by fungal monooxygenase-epoxide hydrolase. Duloxetine (D721000) impurity.

REFERENCES

• Cerniglia, C.E. et al.: Appl. Env. Microbiol., 48, 294 (1984)