2-Amino-6-fluorobenzonitrile

• CAS: 77326-36-4
• Catalog Number: ACM77326364
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 136.13
• Molecular Formula: C7H5FN2
• Synonyms: 2-Cyano-3-fluoroaniline
• IUPAC Name: 2-amino-6-fluorobenzonitrile
• Canonical SMILES: C1=CC(=C(C(=C1)F)C#N)N
• InChI: InChI=1S/C7H5FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2
• InChI Key: IQUNZGOZUJITBJ-UHFFFAOYSA-N
• Boiling Point: 275.8±25.0 °C
• Melting Point: 125-128 °C (lit.)
• Density: 1.25±0.1 g/ml
• Hazard Statements: Xi,T,Xn
• RIDADR: UN 1989C 3 / PGIII
• Safety Description: 26-36-36/37/39-22
• Supplemental Hazard Statements: H301+H311+H331-H315-H319-H302-H311-H332
• Symbol: GHS07,GHS06

Custom Q&A

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

The molecular formula of 2-Amino-6-fluorobenzonitrile is C7H5FN2.

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

The molecular weight of 2-Amino-6-fluorobenzonitrile is 136.13 g/mol.

When was 2-Amino-6-fluorobenzonitrile created in PubChem?

2-Amino-6-fluorobenzonitrile was created in PubChem on March 27, 2005.

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

The IUPAC name of 2-Amino-6-fluorobenzonitrile is 2-amino-6-fluorobenzonitrile.

What is the Canonical SMILES representation of 2-Amino-6-fluorobenzonitrile?

The Canonical SMILES representation of 2-Amino-6-fluorobenzonitrile is C1=CC(=C(C(=C1)F)C#N)N.

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

The InChIKey of 2-Amino-6-fluorobenzonitrile is IQUNZGOZUJITBJ-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 2-Amino-6-fluorobenzonitrile have?

2-Amino-6-fluorobenzonitrile has 1 hydrogen bond donor count.

What is the topological polar surface area of 2-Amino-6-fluorobenzonitrile?

The topological polar surface area of 2-Amino-6-fluorobenzonitrile is 49.8 Ų.

How many heavy atoms does 2-Amino-6-fluorobenzonitrile contain?

2-Amino-6-fluorobenzonitrile contains 10 heavy atoms.

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

Yes, 2-Amino-6-fluorobenzonitrile is a canonicalized compound according to PubChem.