4-Bromo-2-fluorobenzonitrile

• CAS: 105942-08-3
• Catalog Number: ACM105942083
• Category: Bromine Series
• Molecular Weight: 200.01
• Molecular Formula: C7H3BrFN
• Synonyms: Benzonitrile, 4-broMo-2-fluoro-
• IUPAC Name: 4-bromo-2-fluorobenzonitrile
• SMILES: C1=CC(=C(C=C1Br)F)C#N
• InChI: InChI=1S/C7H3BrFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
• InChI Key: HGXWRDPQFZKOLZ-UHFFFAOYSA-N
• Boiling Point: 238-239 °C
• Melting Point: 69-72 °C
• Flash Point: 238-239°C
• Density: 1.728 g/ml
• Hazard Statements: Xn,T,Xi
• RIDADR: NONH for all modes of transport
• Safety Description: 36/37/39-26-22-36
• Supplemental Hazard Statements: H302-H312-H315-H319-H332-H335-H301-H331
• Symbol: GHS06,GHS07

Custom Q&A

What is the molecular formula of 4-Bromo-2-fluorobenzonitrile?

The molecular formula of 4-Bromo-2-fluorobenzonitrile is C7H3BrFN.

When was 4-Bromo-2-fluorobenzonitrile created and last modified according to the reference?

4-Bromo-2-fluorobenzonitrile was created on July 8, 2005, and last modified on December 2, 2023.

What is the IUPAC name of 4-Bromo-2-fluorobenzonitrile?

The IUPAC name of 4-Bromo-2-fluorobenzonitrile is 4-bromo-2-fluorobenzonitrile.

What is the Canonical SMILES representation of 4-Bromo-2-fluorobenzonitrile?

The Canonical SMILES representation of 4-Bromo-2-fluorobenzonitrile is C1=CC(=C(C=C1Br)F)C#N.

What is the InChIKey of 4-Bromo-2-fluorobenzonitrile?

The InChIKey of 4-Bromo-2-fluorobenzonitrile is HGXWRDPQFZKOLZ-UHFFFAOYSA-N.

What is the molecular weight of 4-Bromo-2-fluorobenzonitrile?

The molecular weight of 4-Bromo-2-fluorobenzonitrile is 200.01 g/mol.

How many hydrogen bond acceptor counts does 4-Bromo-2-fluorobenzonitrile have?

4-Bromo-2-fluorobenzonitrile has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of 4-Bromo-2-fluorobenzonitrile?

The topological polar surface area of 4-Bromo-2-fluorobenzonitrile is 23.8Ų.

Does 4-Bromo-2-fluorobenzonitrile have any defined atom stereocenter counts?

No, 4-Bromo-2-fluorobenzonitrile does not have any defined atom stereocenter counts.

Is 4-Bromo-2-fluorobenzonitrile considered as a canonicalized compound?

Yes, 4-Bromo-2-fluorobenzonitrile is considered as a canonicalized compound according to the reference.