4-Bromo-benzo[b]thiophene

• CAS: 5118-13-8
• Catalog Number: ACM5118138
• Category: Thiophenes
• Molecular Weight: 213.09
• Molecular Formula: C8H5BrS
• Synonyms: 4-Bromo-1-benzothiophene;4-Bromo-benzo[b]thiophene
• Melting Point: 34-37°C(lit.)
• Density: 1.65 g/mL at 25 °C(lit.)
• Appearance: Solid

Custom Q&A

What is the molecular formula of 4-Bromo-benzo[b]thiophene?

The molecular formula of 4-Bromo-benzo[b]thiophene is C8H5BrS.

When was 4-Bromo-benzo[b]thiophene first created according to PubChem?

4-Bromo-benzo[b]thiophene was first created on February 7, 2007.

What is the molecular weight of 4-Bromo-benzo[b]thiophene?

The molecular weight of 4-Bromo-benzo[b]thiophene is 213.10 g/mol.

What is the IUPAC name of 4-Bromo-benzo[b]thiophene?

The IUPAC name of 4-Bromo-benzo[b]thiophene is 4-bromo-1-benzothiophene.

How many hydrogen bond donor counts does 4-Bromo-benzo[b]thiophene have?

4-Bromo-benzo[b]thiophene has 0 hydrogen bond donor count.

What is the XLogP3-AA value of 4-Bromo-benzo[b]thiophene?

The XLogP3-AA value of 4-Bromo-benzo[b]thiophene is 3.6.

What is the topological polar surface area of 4-Bromo-benzo[b]thiophene?

The topological polar surface area of 4-Bromo-benzo[b]thiophene is 28.2 Ų.

Does 4-Bromo-benzo[b]thiophene have any defined bond stereocenter count?

No, 4-Bromo-benzo[b]thiophene does not have any defined bond stereocenter count.

Which CAS number is associated with 4-Bromo-benzo[b]thiophene?

The CAS number associated with 4-Bromo-benzo[b]thiophene is 5118-13-8.

Is 4-Bromo-benzo[b]thiophene a canonicalized compound according to PubChem?

Yes, 4-Bromo-benzo[b]thiophene is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 6320-01-0
• 2032-35-1

• 17347-32-9
• 5118-13-8

Reference: [1] Patent: US6664274, 2003, B1, . Location in patent: Page column 23; 24

Upstream Synthesis Route 2

• 19296-69-6

• 17347-32-9
• 5118-13-8

Reference: [1] Patent: US2006/52378, 2006, A1, . Location in patent: Page/Page column 129-130

Upstream Synthesis Route 3

• 17347-29-4

• 17347-32-9
• 5118-13-8

Reference: [1] Patent: US6828332, 2004, B1, . Location in patent: Page column 31

Upstream Synthesis Route 4

• 17402-83-4

• 5118-13-8

Reference: [1]Journal of the American Chemical Society,1955,vol. 77,p. 5939,5943

Upstream Synthesis Route 5

• 5194-37-6

• 5118-13-8

Reference: [1]Patent: US2017/158680,2017,A1 .Location in patent: Paragraph 0361; 0368; 0369

Upstream Synthesis Route 6

• 6320-01-0
• 2032-35-1

• 17347-32-9
• 5118-13-8

Reference: [1]Patent: US6664274,2003,B1 .Location in patent: Page column 23; 24