1-fluoro-3-(3-fluorophenyl)benzene

• ChemBase ID: 9871
• Molecular Formular: C12H8F2
• Molecular Mass: 190.1887264
• Monoisotopic Mass: 190.0594067
• SMILES: c1(c2cc(ccc2)F)cccc(c1)F
• Canonical SMILES: Fc1cccc(c1)c1cccc(c1)F
• InChI: InChI=1S/C12H8F2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H
• InChIKey: GAYJHUJLHJWCTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-3-(3-fluorophenyl)benzene
• IUPAC Traditional name: 1-fluoro-3-(3-fluorophenyl)benzene
• Synonyms: 3,3'-Difluorobiphenyl 98%; 3,3'-Difluorobiphenyl; 3,3'-Difluorodiphenyl; 3,3'-Difluorobiphenyl; 3,3'-二氟联苯

Database IDs

• CAS Number: 396-64-5
• EC Number: 206-905-9
• MDL Number: MFCD00039216
• Beilstein Number: 2046445
• PubChem SID: 160973178
• PubChem CID: 123058

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: 20.569761 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 7-8°C; 7-8°C
• Boiling Point: 130°C/14mm; 130°C/14mm
• Density: 1.21; 1.210
• Refractive Index: 1.568; 1.5680

Safety Information

• Storage Warning: IRRITANT; Irritant
• UN Number: UN3151
• Hazard Class: 9
• Packing Group: II
• Risk Statements: 52/53
• Safety Statements: 61
• TSCA Listed: false; 否
• GHS Hazard statements: H402-H412
• GHS Precautionary statements: P273-P501A

Product Information

• Purity: 97%; 98%

DETAILS

MP Biomedicals - 05213002

MP Biomedicals Rare Chemical collection