1H-Imidazole-4-carbonitrile

• CAS: 57090-88-7
• Catalog Number: ACM57090887
• Category: Imidazoles
• Molecular Weight: 93.09
• Molecular Formula: C4H3N3
• Melting Point: 145-147°C
• Appearance: Beige crystalline powder

Custom Q&A

What is the molecular formula of 1H-Imidazole-4-carbonitrile?

The molecular formula is C4H3N3.

What is the molecular weight of 1H-Imidazole-4-carbonitrile?

The molecular weight is 93.09 g/mol.

What are some synonyms for 1H-Imidazole-4-carbonitrile?

Some synonyms include 4-Cyanoimidazole and 1H-imidazole-5-carbonitrile.

When was 1H-Imidazole-4-carbonitrile created and modified in PubChem?

It was created on 2005-03-27 and last modified on 2023-12-30.

What is the IUPAC name of 1H-Imidazole-4-carbonitrile?

The IUPAC name is 1H-imidazole-5-carbonitrile.

What is the InChI of 1H-Imidazole-4-carbonitrile?

The InChI is InChI=1S/C4H3N3/c5-1-4-2-6-3-7-4/h2-3H,(H,6,7).

What is the InChIKey of 1H-Imidazole-4-carbonitrile?

The InChIKey is NWVGXXPWOYZODV-UHFFFAOYSA-N.

How many hydrogen bond donor count does 1H-Imidazole-4-carbonitrile have?

It has 1 hydrogen bond donor count.

What is the topological polar surface area of 1H-Imidazole-4-carbonitrile?

The topological polar surface area is 52.5 Ų.

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 3034-50-2

• 57090-88-7

Reference: [1] Patent: WO2006/47504, 2006, A1, . Location in patent: Page/Page column 146-147

Upstream Synthesis Route 2

• 26832-08-6

• 57090-88-7

Reference: [1] Patent: US2009/292122, 2009, A1, . Location in patent: Page/Page column 12

Upstream Synthesis Route 3

• 57090-90-1

• 57090-88-7

Reference: [1] Synthesis, 2003, # 5, p. 677 - 680
[2] Patent: WO2006/47277, 2006, A2, . Location in patent: Page/Page column 130-131
[3] Patent: US2008/51578, 2008, A1, . Location in patent: Page/Page column 48
[4] Organic Process Research and Development, 2007, vol. 11, # 2, p. 206 - 209

Upstream Synthesis Route 4

• 56745-98-3

• 57090-88-7

Reference: [1]Journal of Heterocyclic Chemistry,1983,vol. 20,p. 1103 - 1106

Downstream Synthesis Route 1

• 103-71-9
• 57090-88-7

• 87864-82-2

Reference: [1]Journal of Heterocyclic Chemistry,1983,vol. 20,p. 1103 - 1106

Downstream Synthesis Route 2

• 624-83-9
• 57090-88-7

• 87864-83-3

Reference: [1]Journal of Heterocyclic Chemistry,1983,vol. 20,p. 1103 - 1106

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