4-Bromofurfural

• CAS: 21921-76-6
• Catalog Number: ACM21921766
• Category: Bromine Series
• Molecular Weight: 174.98
• Molecular Formula: C₅H₃BrO₂

Custom Q&A

What is the molecular formula of 4-Bromofurfural?

The molecular formula of 4-Bromofurfural is C5H3BrO2.

When was 4-Bromofurfural created?

4-Bromofurfural was created on July 19, 2005.

What is the molecular weight of 4-Bromofurfural?

The molecular weight of 4-Bromofurfural is 174.98 g/mol.

What is the IUPAC Name of 4-Bromofurfural?

The IUPAC Name of 4-Bromofurfural is 4-bromofuran-2-carbaldehyde.

What is the Canonical SMILES of 4-Bromofurfural?

The Canonical SMILES of 4-Bromofurfural is C1=C(OC=C1Br)C=O.

What is the XLogP3-AA value of 4-Bromofurfural?

The XLogP3-AA value of 4-Bromofurfural is 1.5.

How many hydrogen bond donor counts does 4-Bromofurfural have?

4-Bromofurfural has 0 hydrogen bond donor counts.

What is the exact mass of 4-Bromofurfural?

The exact mass of 4-Bromofurfural is 173.93164 g/mol.

How many rotatable bond counts does 4-Bromofurfural have?

4-Bromofurfural has 1 rotatable bond count.

Is the compound canonicalized for 4-Bromofurfural?

Yes, the compound is canonicalized for 4-Bromofurfural.

Synthetic Use

Upstream Synthesis Route 1

• 98-01-1

• 1899-24-7
• 2433-85-4
• 21921-76-6

Reference: [1] Asian Journal of Chemistry, 2012, vol. 24, # 2, p. 927 - 928
[2] Asian Journal of Chemistry, 2012, vol. 24, # 2, p. 927 - 928
[3] Asian Journal of Chemistry, 2012, vol. 24, # 2, p. 927 - 928

Upstream Synthesis Route 2

• 98-01-1

• 1899-24-7
• 21921-76-6

Reference: [1] Asian Journal of Chemistry, 2012, vol. 24, # 2, p. 927 - 928

Downstream Synthesis Route 1

• 21921-76-6

• 3439-02-9

Reference: [1] Patent: WO2007/71434, 2007, A1, . Location in patent: Page/Page column 93-94

Downstream Synthesis Route 2

• 21921-76-6

• 3439-02-9

Reference: [1]Patent: WO2007/71434,2007,A1 .Location in patent: Page/Page column 93-94

Downstream Synthesis Route 3

• 21921-76-6
• 73852-19-4

• 1198180-85-6

Reference: [1]Patent: EP2295406,2011,A1 .Location in patent: Page/Page column 61

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