1-fluoro-4-(4-fluorophenoxy)benzene

• ChemBase ID: 9356
• Molecular Formular: C12H8F2O
• Molecular Mass: 206.1881264
• Monoisotopic Mass: 206.05432132
• SMILES: c1(Oc2ccc(cc2)F)ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)Oc1ccc(cc1)F
• InChI: InChI=1S/C12H8F2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
• InChIKey: UUKHFGSOCZLVJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-4-(4-fluorophenoxy)benzene
• IUPAC Traditional name: 1-fluoro-4-(4-fluorophenoxy)benzene
• Synonyms: Bis(4-fluorophenyl) ether; 4,4'-Difluorodiphenyl Ether; Bis(4-fluorophenyl)ether 97%; 4-Fluorophenyl ether; 4,4'-Difluorodiphenyl ether; 4-Fluorophenyl ether; Bis(4-fluorophenyl) ether; 4-氟苯基醚; 双(4-氟苯基)醚

Database IDs

• CAS Number: 330-93-8
• EC Number: 206-358-6
• MDL Number: MFCD00013552
• Beilstein Number: 2559168
• PubChem SID: 24878356; 160972663
• PubChem CID: 67615

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.758937
• LogD (pH = 7.4): 3.758937
• Log P: 3.758937
• Molar Refractivity: 52.7316 cm^3
• Polarizability: 19.99469 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 232-240°C/743mm; 240°C; 250 °C(lit.)
• Flash Point: >110 °C; >110°C; >110°C(230°F); >230 °F
• Density: 1.23; 1.23 g/mL at 25 °C(lit.); 1.230
• Refractive Index: 1.5375; n20/D 1.537(lit.)

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive
• German water hazard class: 3
• TSCA Listed: false; 否
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 96%; 97%; 98%
• Linear Formula: (FC6H4)2O

DETAILS

Sigma Aldrich - 538752

Packaging
1, 5 g in glass bottle