2-Bromo-6-fluorobenzonitrile

• Catalog Number: ACM79544277
• Product Name: 2-Bromo-6-fluorobenzonitrile
• CAS: 79544-27-7
• Category: Bromine Series
• Synonyms: 2-BROMO-6-FLUOROBENZONITRILE
• IUPAC Name: 2-bromo-6-fluorobenzonitrile
• Molecular Weight: 200.01
• Molecular Formula: C7H3BrFN
• Canonical SMILES: C1=CC(=C(C(=C1)Br)C#N)F
• InChI: InChI=1S/C7H3BrFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
• InChI Key: IELGUZKHALDFOO-UHFFFAOYSA-N
• Boiling Point: 254.6±25.0 °C
• Melting Point: 58-62ºC
• Flash Point: 107.8ºC
• Density: 1.69 g/cm³
• Hazard Codes: Xn
• Hazard Statements: H314
• HS Code: 2926909090
• LogP: 2.45988
• MDL Number: MFCD06797753
• PSA: 23.79
• Refractive Index: 1.577
• RIDADR: NONH for all modes of transport
• Storage Conditions: Room temperature.
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 2-Bromo-6-fluorobenzonitrile?

The molecular formula of 2-Bromo-6-fluorobenzonitrile is C7H3BrFN.

What is the molecular weight of 2-Bromo-6-fluorobenzonitrile?

The molecular weight of 2-Bromo-6-fluorobenzonitrile is 200.01 g/mol.

What is the IUPAC name of 2-Bromo-6-fluorobenzonitrile?

The IUPAC name of 2-Bromo-6-fluorobenzonitrile is 2-bromo-6-fluorobenzonitrile.

What is the InChI of 2-Bromo-6-fluorobenzonitrile?

The InChI of 2-Bromo-6-fluorobenzonitrile is InChI=1S/C7H3BrFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H.

What is the InChIKey of 2-Bromo-6-fluorobenzonitrile?

The InChIKey of 2-Bromo-6-fluorobenzonitrile is IELGUZKHALDFOO-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Bromo-6-fluorobenzonitrile?

The canonical SMILES of 2-Bromo-6-fluorobenzonitrile is C1=CC(=C(C(=C1)Br)C#N)F.

What is the CAS number of 2-Bromo-6-fluorobenzonitrile?

The CAS number of 2-Bromo-6-fluorobenzonitrile is 79544-27-7.

What is the European Community (EC) Number of 2-Bromo-6-fluorobenzonitrile?

The European Community (EC) Number of 2-Bromo-6-fluorobenzonitrile is 627-812-3.

Is 2-Bromo-6-fluorobenzonitrile a canonicalized compound?

Yes, 2-Bromo-6-fluorobenzonitrile is a canonicalized compound.