6-Bromo-2-tetralone

• CAS: 4133-35-1
• Catalog Number: ACM4133351
• Category: Bromine Series
• Molecular Weight: 225.08
• Molecular Formula: C₁₀H₉BrO

Custom Q&A

What is the molecular formula of 6-Bromo-2-tetralone?

The molecular formula of 6-Bromo-2-tetralone is C10H9BrO.

What is the molecular weight of 6-Bromo-2-tetralone?

The molecular weight of 6-Bromo-2-tetralone is 225.08 g/mol.

What is the IUPAC name of 6-Bromo-2-tetralone?

The IUPAC name of 6-Bromo-2-tetralone is 6-bromo-3,4-dihydro-1H-naphthalen-2-one.

What is the InChI of 6-Bromo-2-tetralone?

The InChI of 6-Bromo-2-tetralone is InChI=1S/C10H9BrO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5H,2,4,6H2.

What is the InChIKey of 6-Bromo-2-tetralone?

The InChIKey of 6-Bromo-2-tetralone is BYHKDUFPSJWJDI-UHFFFAOYSA-N.

What is the canonical SMILES of 6-Bromo-2-tetralone?

The canonical SMILES of 6-Bromo-2-tetralone is C1CC2=C(CC1=O)C=CC(=C2)Br.

What is the CAS number of 6-Bromo-2-tetralone?

The CAS number of 6-Bromo-2-tetralone is 4133-35-1.

What is the European Community (EC) number of 6-Bromo-2-tetralone?

The European Community (EC) number of 6-Bromo-2-tetralone is 640-168-8.

What is the DSSTox Substance ID of 6-Bromo-2-tetralone?

The DSSTox Substance ID of 6-Bromo-2-tetralone is DTXSID70369939.

Is 6-Bromo-2-tetralone canonicalized?

Yes, 6-Bromo-2-tetralone is canonicalized according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 79-37-8
• 1878-68-8

• 4133-35-1

Reference: [1] Patent: US5206240, 1993, A,

Upstream Synthesis Route 2

• 37859-24-8
• 74-85-1

• 4133-35-1

Reference: [1] Patent: EP1199307, 2002, A1, . Location in patent: Page 12

Upstream Synthesis Route 3

• 1878-68-8

• 4133-35-1

Reference: [1] Bioorganic and Medicinal Chemistry, 2006, vol. 14, # 19, p. 6640 - 6658
[2] Bioorganic and Medicinal Chemistry Letters, 2003, vol. 13, # 1, p. 133 - 137
[3] Journal of Medicinal Chemistry, 1993, vol. 36, # 16, p. 2279 - 2291
[4] Patent: WO2013/149362, 2013, A1,
[5] Patent: WO2013/166621, 2013, A1,

Upstream Synthesis Route 4

• 37859-24-8
• 74-85-1

• 4133-35-1

Reference: [1]Patent: EP1199307,2002,A1 .Location in patent: Page 12