1-fluoro-4-phenylbenzene

• ChemBase ID: 8527
• Molecular Formular: C12H9F
• Molecular Mass: 172.1982632
• Monoisotopic Mass: 172.06882851
• SMILES: Fc1ccc(cc1)c1ccccc1
• Canonical SMILES: Fc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C12H9F/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
• InChIKey: RUYZJEIKQYLEGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-4-phenylbenzene
• IUPAC Traditional name: 4-fluorobiphenyl
• Synonyms: 4-Fluoro-1,1'-biphenyl; 4-Fluorobiphenyl; 4-Fluorodiphenyl; 4-Fluorobiphenyl 97%; 4-Fluorobiphenyl; 4-氟联苯

Database IDs

• CAS Number: 324-74-3
• EC Number: 206-304-1
• MDL Number: MFCD00011650
• Beilstein Number: 2042410
• PubChem SID: 24879341; 160971834
• PubChem CID: 9461

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: 20.987026 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 72-76°C; 74-75°C; 75-79 °C(lit.)
• Boiling Point: 253°C; 283-284 °C(lit.); 310°C
• Flash Point: >100°C
• Density: 1.288 g/mL(lit.)
• Refractive Index: n20/D 1.5200(lit.)

Safety Information

• Storage Warning: IRRITANT; Irritant
• RTECS: DV5291200
• German water hazard class: 3
• TSCA Listed: false; 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95%; 97%; 97+%; 98%
• Linear Formula: C6H5C6H4F

DETAILS

MP Biomedicals - 05206173

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 553638

Packaging
5 g in glass bottle