3,6-dichloropyrazine-2-carbonitrile

• CAS: 356783-16-9
• Catalog Number: ACM356783169
• Category: Pyrazines
• Molecular Weight: 174.0
• Molecular Formula: C5HCl2N3
• Appearance: White Powder

Custom Q&A

What is the molecular formula of 3,6-dichloropyrazine-2-carbonitrile?

The molecular formula of 3,6-dichloropyrazine-2-carbonitrile is C5HCl2N3.

When was 3,6-dichloropyrazine-2-carbonitrile created in PubChem?

3,6-dichloropyrazine-2-carbonitrile was created on December 5, 2007 in PubChem.

What is the molecular weight of 3,6-dichloropyrazine-2-carbonitrile?

The molecular weight of 3,6-dichloropyrazine-2-carbonitrile is 173.98 g/mol.

How is the InChI key of 3,6-dichloropyrazine-2-carbonitrile computed?

The InChI key of 3,6-dichloropyrazine-2-carbonitrile is computed by InChI 1.0.5.

What is the Canonical SMILES representation of 3,6-dichloropyrazine-2-carbonitrile?

The Canonical SMILES representation of 3,6-dichloropyrazine-2-carbonitrile is C1=C(N=C(C(=N1)Cl)C#N)Cl.

What is the CAS number of 3,6-dichloropyrazine-2-carbonitrile?

The CAS number of 3,6-dichloropyrazine-2-carbonitrile is 356783-16-9.

What is the XLogP3 value of 3,6-dichloropyrazine-2-carbonitrile?

The XLogP3 value of 3,6-dichloropyrazine-2-carbonitrile is 1.9.

How many hydrogen bond acceptors does 3,6-dichloropyrazine-2-carbonitrile have?

3,6-dichloropyrazine-2-carbonitrile has 3 hydrogen bond acceptors.

What is the topological polar surface area of 3,6-dichloropyrazine-2-carbonitrile?

The topological polar surface area of 3,6-dichloropyrazine-2-carbonitrile is 49.6?2.

Is 3,6-dichloropyrazine-2-carbonitrile canonicalized in PubChem?

Yes, 3,6-dichloropyrazine-2-carbonitrile is canonicalized in PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 18960-19-5

• 356783-16-9

Reference: [1] Patent: CN106478528, 2017, A, . Location in patent: Paragraph 0033; 0039; 0045

Upstream Synthesis Route 2

• 55321-99-8

• 356783-16-9

Reference: [1] Patent: US2011/275817, 2011, A1,

Upstream Synthesis Route 3

• 5424-01-1

• 356783-16-9

Reference: [1] Patent: CN106866553, 2017, A,

Downstream Synthesis Route 1

• 356783-16-9
• 150-76-5

• 356783-22-7

Reference: [1]Patent: US2003/130213,2003,A1

Downstream Synthesis Route 2

• 356783-16-9
• 108-98-5

• 356783-25-0

Reference: [1]Patent: US2003/130213,2003,A1

Downstream Synthesis Route 3

• 356783-16-9
• 103-16-2

• 356783-23-8

Reference: [1]Patent: US2003/130213,2003,A1

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