2,4,5-Tribromo-1-methyl-1H-imidazole

• CAS: 1003-91-4
• Catalog Number: ACM1003914
• Category: Bromine Series
• Molecular Weight: 318.79
• Molecular Formula: C₄H₃Br₃N₂

Custom Q&A

What is the molecular formula of 2,4,5-Tribromo-1-methyl-1H-imidazole?

The molecular formula is C4H3Br3N2.

What is the IUPAC Name of 2,4,5-Tribromo-1-methyl-1H-imidazole?

The IUPAC Name is 2,4,5-tribromo-1-methylimidazole.

What is the InChI of 2,4,5-Tribromo-1-methyl-1H-imidazole?

The InChI is InChI=1S/C4H3Br3N2/c1-9-3(6)2(5)8-4(9)7/h1H3.

What is the InChIKey of 2,4,5-Tribromo-1-methyl-1H-imidazole?

The InChIKey is KAMDVXMJRMNDCQ-UHFFFAOYSA-N.

What is the Canonical SMILES of 2,4,5-Tribromo-1-methyl-1H-imidazole?

The Canonical SMILES is CN1C(=C(N=C1Br)Br)Br.

What is the molecular weight of 2,4,5-Tribromo-1-methyl-1H-imidazole?

The molecular weight is 318.79 g/mol.

What is the XLogP3-AA value of 2,4,5-Tribromo-1-methyl-1H-imidazole?

The XLogP3-AA value is 3.1.

How many hydrogen bond donor counts does 2,4,5-Tribromo-1-methyl-1H-imidazole have?

It has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2,4,5-Tribromo-1-methyl-1H-imidazole have?

It has 1 hydrogen bond acceptor count.

How many rotatable bond counts does 2,4,5-Tribromo-1-methyl-1H-imidazole have?

It has 0 rotatable bond counts.

Synthetic Use

Upstream Synthesis Route 1

• 616-47-7

• 1003-91-4

Reference: [1] Synthesis, 1988, # 10, p. 767 - 771

Upstream Synthesis Route 2

• 2034-22-2
• 74-88-4

• 1003-91-4

Reference: [1] Synlett, 2010, # 12, p. 1779 - 1782
[2] Patent: WO2017/87837, 2017, A1, . Location in patent: Paragraph 00314

Upstream Synthesis Route 3

• 616-47-7

• 1003-50-5
• 1003-91-4

Reference: [1]Journal of the Chemical Society,1924,vol. 125,p. 1569

Upstream Synthesis Route 4

• 616-47-7

• 1003-91-4

Reference: [1]Synthesis,1988,p. 767 - 771

Downstream Synthesis Route 1

• 1003-91-4

• 25676-75-9

Reference: [1] Patent: WO2013/192352, 2013, A1, . Location in patent: Page/Page column 117

Downstream Synthesis Route 2

• 1003-91-4

• 616-47-7

Reference: [1]Chemische Berichte,1877,vol. 10,p. 1370

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