3-Fluorobenzonitrile

• CAS: 403-54-3
• Catalog Number: ACM403543
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 121.11
• Molecular Formula: C7H4FN
• Synonyms: 1-Cyano-3-fluorobenzene
• IUPAC Name: 3-fluorobenzonitrile
• Canonical SMILES: C1=CC(=CC(=C1)F)C#N
• InChI: InChI=1S/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4H
• InChI Key: JZTPKAROPNTQQV-UHFFFAOYSA-N
• Melting Point: -16 °C
• Density: 1.133 g/ml
• Hazard Statements: H315-H318-H335
• RIDADR: NONH for all modes of transport
• Symbol: GHS05

Custom Q&A

What is the PubChem CID of 3-Fluorobenzonitrile?

PubChem CID = 67880.

What is the molecular formula of 3-Fluorobenzonitrile?

The molecular formula is C7H4FN.

What is the molecular weight of 3-Fluorobenzonitrile?

The molecular weight is 121.11 g/mol.

What is the IUPAC name of 3-Fluorobenzonitrile?

The IUPAC name is 3-fluorobenzonitrile.

What is the InChI of 3-Fluorobenzonitrile?

The InChI is InChI=1S/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4H.

What is the InChIKey of 3-Fluorobenzonitrile?

The InChIKey is JZTPKAROPNTQQV-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Fluorobenzonitrile?

The canonical SMILES is C1=CC(=CC(=C1)F)C#N.

What is the CAS number of 3-Fluorobenzonitrile?

The CAS number is 403-54-3.

What is the European Community (EC) number of 3-Fluorobenzonitrile?

The European Community (EC) number is 206-963-5.

Is 3-Fluorobenzonitrile a canonicalized compound?

Yes, 3-Fluorobenzonitrile is canonicalized according to PubChem.