4-Bromo-4'-fluorobiphenyl

• CAS: 398-21-0
• Catalog Number: ACM398210
• Category: Aryl
• Molecular Weight: 251.09
• Molecular Formula: C₁₂H₈BrF
• Synonyms: 4-Bromo-4-fluorobiphenyl, 550450_ALDRICH, Biphenyl, 4-bromo-4-fluoro-, NSC91565, EINECS 206-909-0, 4-Bromo-4-fluoro-1,1-biphenyl, 398-21-0
• IUPAC Name: 1-bromo-4-(4-fluorophenyl)benzene
• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)Br)F
• InChI Key: XFGPSHWWPIFPNL-UHFFFAOYSA-N
• Boiling Point: 307.6ºC at 760 mmHg
• Melting Point: 92.5-97.5ºC
• Flash Point: 143.7ºC
• Density: 1.433 g/cm³
• Appearance: white crystalline powder
• EC Number: 206-909-0
• Exact Mass: 249.97900
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• RIDADR: NONH for all modes of transport
• Safety Description: 22-36/37/39-61-60-39-26
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 4-Bromo-4'-fluorobiphenyl?

The molecular formula of 4-Bromo-4'-fluorobiphenyl is C12H8BrF.

What is the molecular weight of 4-Bromo-4'-fluorobiphenyl?

The molecular weight of 4-Bromo-4'-fluorobiphenyl is 251.09 g/mol.

What is the IUPAC name of 4-Bromo-4'-fluorobiphenyl?

The IUPAC name of 4-Bromo-4'-fluorobiphenyl is 1-bromo-4-(4-fluorophenyl)benzene.

What is the InChI of 4-Bromo-4'-fluorobiphenyl?

The InChI of 4-Bromo-4'-fluorobiphenyl is InChI=1S/C12H8BrF/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H.

What is the InChIKey of 4-Bromo-4'-fluorobiphenyl?

The InChIKey of 4-Bromo-4'-fluorobiphenyl is XFGPSHWWPIFPNL-UHFFFAOYSA-N.

What is the Canonical SMILES of 4-Bromo-4'-fluorobiphenyl?

The Canonical SMILES of 4-Bromo-4'-fluorobiphenyl is C1=CC(=CC=C1C2=CC=C(C=C2)Br)F.

What is the CAS number of 4-Bromo-4'-fluorobiphenyl?

The CAS number of 4-Bromo-4'-fluorobiphenyl is 398-21-0.

What is the XLogP3 value of 4-Bromo-4'-fluorobiphenyl?

The XLogP3 value of 4-Bromo-4'-fluorobiphenyl is 5.1.

Is 4-Bromo-4'-fluorobiphenyl a canonicalized compound?

Yes, 4-Bromo-4'-fluorobiphenyl is a canonicalized compound.