5-Bromobenzofuran

• CAS: 23145-07-5
• Catalog Number: ACM23145075
• Category: Furans
• Molecular Weight: 197.03
• Molecular Formula: C8H5BrO
• Synonyms: 5-Bromobenzo [ b ] furan
• IUPAC Name: 5-bromo-1-benzofuran
• Canonical SMILES: C1=CC2=C(C=CO2)C=C1Br
• InChI: InChI=1S/C8H5BrO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H
• InChI Key: AYOVPQORFBWFNO-UHFFFAOYSA-N
• Boiling Point: 226 °C
• Melting Point: 8 °C
• Density: 1.573 g/mL at 25 °C(lit.)
• Appearance: Colorless to Light yellow to Light orange clear liquid
• Complexity: 126
• Covalently-Bonded Unit Count: 1
• Exact Mass: 195.95238g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 10
• MDL Number: MFCD03407317
• Monoisotopic Mass: 195.95238g/mol
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Refractive Index: 1.6
• Rotatable Bond Count: 0
• Signal Word: Warning
• Specific Gravity: 1.58
• XLogP3: 3

Custom Q&A

What is the molecular formula of 5-bromobenzofuran?

The molecular formula of 5-bromobenzofuran is C8H5BrO.

What is the molecular weight of 5-bromobenzofuran?

The molecular weight of 5-bromobenzofuran is 197.03 g/mol.

What is the IUPAC name of 5-bromobenzofuran?

The IUPAC name of 5-bromobenzofuran is 5-bromo-1-benzofuran.

What is the InChI of 5-bromobenzofuran?

The InChI of 5-bromobenzofuran is InChI=1S/C8H5BrO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H.

What is the InChIKey of 5-bromobenzofuran?

The InChIKey of 5-bromobenzofuran is AYOVPQORFBWFNO-UHFFFAOYSA-N.

What is the canonical SMILES of 5-bromobenzofuran?

The canonical SMILES of 5-bromobenzofuran is C1=CC2=C(C=CO2)C=C1Br.

What is the CAS number of 5-bromobenzofuran?

The CAS number of 5-bromobenzofuran is 23145-07-5.

What is the European Community (EC) number of 5-bromobenzofuran?

The European Community (EC) number of 5-bromobenzofuran is 676-002-6.

What is the DSSTox Substance ID of 5-bromobenzofuran?

The DSSTox Substance ID of 5-bromobenzofuran is DTXSID6073441.

Is 5-bromobenzofuran a canonicalized compound?

Yes, 5-bromobenzofuran is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 112598-18-2

• 23145-07-5

Reference: [1] Patent: WO2004/33440, 2004, A1, . Location in patent: Page 239-240

Upstream Synthesis Route 2

• 129969-69-3

• 23145-07-5

Reference: [1] Patent: WO2011/66211, 2011, A1, . Location in patent: Page/Page column 52

Upstream Synthesis Route 3

• 112598-18-2

• 23145-07-5

Reference: [1]Patent: WO2004/33440,2004,A1 .Location in patent: Page 239-240

Upstream Synthesis Route 4

• 66826-78-6

• 23145-07-5

Reference: [1]Heterocycles,1997,vol. 45,p. 1657 - 1661

Downstream Synthesis Route 1

• 23145-07-5

• 58546-89-7

Reference: [1] Organometallics, 2018, vol. 37, # 18, p. 2941 - 2944
[2] Organic Letters, 2017, vol. 19, # 11, p. 2809 - 2812

Downstream Synthesis Route 2

• 23145-07-5
• 68-12-2

• 10035-16-2

Reference: [1]Patent: CN107266413,2017,A .Location in patent: Paragraph 0188; 0190; 0191; 0192

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