3-Fluoro-4-methylbenzonitrile

• Catalog Number: ACM170572493
• Product Name: 3-Fluoro-4-methylbenzonitrile
• CAS: 170572-49-3
• Category: Aryl Fluorinated Building Blocks
• Synonyms: Benzonitrile, 3-fluoro-4-methyl-
• IUPAC Name: 3-fluoro-4-methylbenzonitrile
• Molecular Weight: 135.14
• Molecular Formula: C8H6FN
• Canonical SMILES: CC1=C(C=C(C=C1)C#N)F
• InChI: InChI=1S/C8H6FN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3
• InChI Key: KUQQONVKIURIQU-UHFFFAOYSA-N
• Boiling Point: 204 °C
• Melting Point: 47-51 °C
• Density: 1.11±0.1 g/ml
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 3-Fluoro-4-methylbenzonitrile?

The molecular formula of 3-Fluoro-4-methylbenzonitrile is C8H6FN.

What is the molecular weight of 3-Fluoro-4-methylbenzonitrile?

The molecular weight of 3-Fluoro-4-methylbenzonitrile is 135.14 g/mol.

What is the IUPAC name of 3-Fluoro-4-methylbenzonitrile?

The IUPAC name of 3-Fluoro-4-methylbenzonitrile is 3-fluoro-4-methylbenzonitrile.

What is the InChI of 3-Fluoro-4-methylbenzonitrile?

The InChI of 3-Fluoro-4-methylbenzonitrile is InChI=1S/C8H6FN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3.

What is the InChIKey of 3-Fluoro-4-methylbenzonitrile?

The InChIKey of 3-Fluoro-4-methylbenzonitrile is KUQQONVKIURIQU-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Fluoro-4-methylbenzonitrile?

The canonical SMILES of 3-Fluoro-4-methylbenzonitrile is CC1=C(C=C(C=C1)C#N)F.

What is the CAS number of 3-Fluoro-4-methylbenzonitrile?

The CAS number of 3-Fluoro-4-methylbenzonitrile is 170572-49-3.

What is the European Community (EC) number of 3-Fluoro-4-methylbenzonitrile?

The European Community (EC) number of 3-Fluoro-4-methylbenzonitrile is 626-846-6.

Is 3-Fluoro-4-methylbenzonitrile a canonicalized compound?

Yes, 3-Fluoro-4-methylbenzonitrile is a canonicalized compound.