1-fluoro-4-(4-fluorophenyl)benzene

• ChemBase ID: 9872
• Molecular Formular: C12H8F2
• Molecular Mass: 190.1887264
• Monoisotopic Mass: 190.0594067
• SMILES: c1(F)ccc(cc1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)c1ccc(cc1)F
• InChI: InChI=1S/C12H8F2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
• InChIKey: PZDAAZQDQJGXSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-4-(4-fluorophenyl)benzene
• IUPAC Traditional name: 4,4'-difluorobiphenyl
• Synonyms: 4,4'-Difluorobiphenyl; 4,4'-Difluorodiphenyl; 4,4'-Difluorobiphenyl; 4,4'-Difluorobiphenyl 99%; 4,4′-Difluorobiphenyl; 4,4'-二氟联苯; 4,4′-二氟联苯

Database IDs

• CAS Number: 398-23-2
• EC Number: 206-910-6
• MDL Number: MFCD00000349
• Beilstein Number: 2044699
• Merck Index: 143149
• PubChem SID: 24893326; 160973179
• PubChem CID: 9811

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: 20.564835 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87-89°C; 88-91 °C(lit.); 88-91°C; 89-90°C
• Boiling Point: 254-255 °C(lit.); 254-255°C; 254-255°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• UN Number: 3152; UN3152
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 2; II
• Risk Statements: 36/37/38; 52/53
• Safety Statements: 26-36; 61
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H402-H412
• GHS Precautionary statements: P261-P305 + P351 + P338; P273-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3152 9/PG 2

Product Information

• Purity: 99%
• Linear Formula: FC6H4C6H4F

DETAILS

MP Biomedicals - 05204013

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D102407

Packaging
5 g in glass bottle