2-Fluoro-5-nitrobenzonitrile

• CAS: 17417-09-3
• Catalog Number: ACM17417093
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 166.11
• Molecular Formula: C7H3FN2O2
• Synonyms: Benzonitrile, 2-fluoro-5-nitro-
• IUPAC Name: 2-fluoro-5-nitrobenzonitrile
• SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C#N)F
• InChI: InChI=1S/C7H3FN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H
• InChI Key: YLACBMHBZVYOAP-UHFFFAOYSA-N
• Boiling Point: 94 °C 0.5mmHg
• Melting Point: 76-80 °C
• Density: 1.41±0.1 g/ml
• Hazard Statements: H314
• RIDADR: NONH for all modes of transport
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 2-Fluoro-5-nitrobenzonitrile?

The molecular formula of 2-Fluoro-5-nitrobenzonitrile is C7H3FN2O2.

What is the molecular weight of 2-Fluoro-5-nitrobenzonitrile?

The molecular weight of 2-Fluoro-5-nitrobenzonitrile is 166.11 g/mol.

What is the IUPAC name of 2-Fluoro-5-nitrobenzonitrile?

The IUPAC name of 2-Fluoro-5-nitrobenzonitrile is 2-fluoro-5-nitrobenzonitrile.

What is the InChI of 2-Fluoro-5-nitrobenzonitrile?

The InChI of 2-Fluoro-5-nitrobenzonitrile is InChI=1S/C7H3FN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H.

What is the InChIKey of 2-Fluoro-5-nitrobenzonitrile?

The InChIKey of 2-Fluoro-5-nitrobenzonitrile is YLACBMHBZVYOAP-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Fluoro-5-nitrobenzonitrile?

The canonical SMILES of 2-Fluoro-5-nitrobenzonitrile is C1=CC(=C(C=C1[N+](=O)[O-])C#N)F.

What is the CAS number of 2-Fluoro-5-nitrobenzonitrile?

The CAS number of 2-Fluoro-5-nitrobenzonitrile is 17417-09-3.

What is the European Community (EC) number of 2-Fluoro-5-nitrobenzonitrile?

The European Community (EC) number of 2-Fluoro-5-nitrobenzonitrile is 624-527-6.

What is the molecular weight of 2-Fluoro-5-nitrobenzonitrile according to PubChem?

The molecular weight of 2-Fluoro-5-nitrobenzonitrile is 166.11 g/mol according to PubChem.

Is 2-Fluoro-5-nitrobenzonitrile a canonicalized compound?

Yes, 2-Fluoro-5-nitrobenzonitrile is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 16588-02-6

• 17417-09-3

Reference: [1]Journal of Heterocyclic Chemistry,1991,vol. 28,p. 685 - 695
[2]Synthetic Communications,1991,vol. 21,p. 505 - 513

Downstream Synthesis Route 1

• 17417-09-3

• 41339-17-7

Reference: [1] Patent: US2017/158642, 2017, A1, . Location in patent: Paragraph 0075; 0076

Downstream Synthesis Route 2

• 17417-09-3

• 5228-49-9

Reference: [1] Tetrahedron, 2013, vol. 69, # 19, p. 3907 - 3912

Downstream Synthesis Route 3

• 17417-09-3
• 60-34-4

• 73105-48-3

Reference: [1] Tetrahedron, 2013, vol. 69, # 19, p. 3907 - 3912
[2] Patent: WO2013/55984, 2013, A1, . Location in patent: Paragraph 00338
[3] Patent: US2009/76275, 2009, A1, . Location in patent: Page/Page column 10

Downstream Synthesis Route 4

• 110-89-4
• 17417-09-3

• 32188-75-3

Reference: [1]Journal of the Chemical Society. Perkin transactions II,1994,p. 443 - 450
[2]Journal of the Chemical Society. Perkin transactions II,1994,p. 443 - 450
[3]Journal of the Chemical Society. Perkin Transactions 2 (2001),1998,p. 937 - 942

Downstream Synthesis Route 5

• 17417-09-3

• 53312-81-5

Reference: [1]Journal of Heterocyclic Chemistry,1991,vol. 28,p. 685 - 695

* For details of the synthesis route, please refer to the original source to ensure accuracy.