1-fluoro-2-(2-fluorophenyl)benzene

• ChemBase ID: 95003
• Molecular Formular: C12H8F2
• Molecular Mass: 190.1887264
• Monoisotopic Mass: 190.0594067
• SMILES: Fc1ccccc1c1c(cccc1)F
• Canonical SMILES: Fc1ccccc1c1ccccc1F
• InChI: InChI=1S/C12H8F2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
• InChIKey: PXFIPIAXFGAEMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-2-(2-fluorophenyl)benzene
• IUPAC Traditional name: 1-fluoro-2-(2-fluorophenyl)benzene
• Synonyms: 2,2'-Difluorobiphenyl 98%; 2,2′-Difluorobiphenyl; 2,2'-DIFLUOROBIPHENYL; 2,2′-二氟联苯

Database IDs

• CAS Number: 388-82-9
• EC Number: 206-863-1
• MDL Number: MFCD00017910
• PubChem SID: 162081654; 24867776; 24877980
• PubChem CID: 123055

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.905875
• LogD (pH = 7.4): 3.905875
• Log P: 3.905875
• Molar Refractivity: 51.627 cm^3
• Polarizability: 20.577938 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 112-114°C; 117-121 °C(lit.)

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• UN Number: 3152
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 2
• 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
• RID/ADR: UN 3152 9/PG 2

Product Information

• Purity: 98%
• Grade: analytical standard
• Packaging: ampule of 100 mg
• Linear Formula: FC6H4C6H4F

DETAILS

MP Biomedicals - 05205006

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 533645

Packaging
5 g in glass bottle