4-Bromo-3-nitrobenzonitrile

• CAS: 89642-49-9
• Catalog Number: ACM89642499
• Category: Bromine Series
• Molecular Weight: 227.0
• Molecular Formula: C₇H₃BrN₂O₂

Custom Q&A

What is the molecular formula of 4-Bromo-3-nitrobenzonitrile?

The molecular formula of 4-Bromo-3-nitrobenzonitrile is C7H3BrN2O2.

What is the molecular weight of 4-Bromo-3-nitrobenzonitrile?

The molecular weight of 4-Bromo-3-nitrobenzonitrile is 227.01 g/mol.

What is the IUPAC name of 4-Bromo-3-nitrobenzonitrile?

The IUPAC name of 4-Bromo-3-nitrobenzonitrile is 4-bromo-3-nitrobenzonitrile.

What is the InChI of 4-Bromo-3-nitrobenzonitrile?

The InChI of 4-Bromo-3-nitrobenzonitrile is InChI=1S/C7H3BrN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H.

What is the InChIKey of 4-Bromo-3-nitrobenzonitrile?

The InChIKey of 4-Bromo-3-nitrobenzonitrile is FXRMUJPWDOLCLX-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromo-3-nitrobenzonitrile?

The canonical SMILES of 4-Bromo-3-nitrobenzonitrile is C1=CC(=C(C=C1C#N)[N+](=O)[O-])Br.

What is the CAS number of 4-Bromo-3-nitrobenzonitrile?

The CAS number of 4-Bromo-3-nitrobenzonitrile is 89642-49-9.

What is the EC number of 4-Bromo-3-nitrobenzonitrile?

The EC number of 4-Bromo-3-nitrobenzonitrile is 640-536-8.

What is the XLogP3-AA value of 4-Bromo-3-nitrobenzonitrile?

The XLogP3-AA value of 4-Bromo-3-nitrobenzonitrile is 2.2.

Is 4-Bromo-3-nitrobenzonitrile a canonicalized compound?

Yes, 4-Bromo-3-nitrobenzonitrile is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 623-00-7

• 89642-49-9

Reference: [1]Patent: US2015/231142,2015,A1 .Location in patent: Paragraph 0673

Downstream Synthesis Route 1

• 60-35-5
• 89642-49-9
• 7732-18-5
• 127-09-3

• 3272-08-0

Reference: [1] Chemische Berichte, 1917, vol. 50, p. 1354

Downstream Synthesis Route 2

• 89642-49-9

• 6393-40-4

Reference: [1] Chemische Berichte, 1916, vol. 49, p. 2230

Downstream Synthesis Route 3

• 89642-49-9

• 3272-08-0

Reference: [1] Chemische Berichte, 1917, vol. 50, p. 1354

Downstream Synthesis Route 4

• 110-89-4
• 89642-49-9

• 32117-03-6

Reference: [1]Chemische Berichte,1916,vol. 49,p. 2230

Downstream Synthesis Route 5

• 89642-49-9
• 18424-76-5

• 651747-69-2

Reference: [1]Chemische Berichte,1916,vol. 49,p. 2230

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