1-fluoro-2-phenylbenzene

• ChemBase ID: 8526
• Molecular Formular: C12H9F
• Molecular Mass: 172.1982632
• Monoisotopic Mass: 172.06882851
• SMILES: Fc1c(c2ccccc2)cccc1
• Canonical SMILES: Fc1ccccc1c1ccccc1
• InChI: InChI=1S/C12H9F/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
• InChIKey: KLECYOQFQXJYBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-2-phenylbenzene
• IUPAC Traditional name: 1,1'-biphenyl, 2-fluoro-
• Synonyms: 2-Fluorobiphenyl; 2-Fluoro-1,1’-biphenyl; 2-Fluorodiphenyl; o-Fluorodiphenyl; NSC 10366; 2-Fluoro-1,1'-biphenyl; 2-Fluorobiphenyl; 2-Fluorobiphenyl 98%; 2-氟联苯

Database IDs

• CAS Number: 321-60-8
• EC Number: 206-290-7
• MDL Number: MFCD00000317
• Beilstein Number: 2043175
• PubChem SID: 24870510; 24846587; 160971833
• PubChem CID: 67579

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.763173
• LogD (pH = 7.4): 3.763173
• Log P: 3.763173
• Molar Refractivity: 51.4106 cm^3
• Polarizability: 20.994003 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Benzene; Chloroform; Ethyl Acetate; Methanol
• Apperance: White Crystalline Solid
• Melting Point: 71-74 °C; 71-74 °C(lit.); 71-74°C; 72-76°C; 73-74.5°C; 73-75°C
• Boiling Point: 248 °C(lit.); 248°C; 248°C
• Density: 1.245

Safety Information

• Storage Warning: IRRITANT; Irritant
• RTECS: DV5291000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41-50/53
• Safety Statements: 26-39-60-61
• TSCA Listed: true; 是
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335-H410
• GHS Precautionary statements: P261-P273-P280-P305 + P351 + P338-P501

Product Information

• Purity: ≥98.0% (GC); 96%; 98%; 99%
• Grade: purum
• Linear Formula: C6H5C6H4F

DETAILS

Sigma Aldrich - 102741

Packaging
1, 10 g in glass bottle