2,6-Bis(bromomethyl)naphthalene

• CAS: 4542-77-2
• Catalog Number: ACM4542772
• Category: Aryl
• Molecular Weight: 314.02
• Molecular Formula: C₁₂H₁₀Br₂
• Hazard Statements: H302-H312-H332
• RIDADR: UN 3261 8 / PGII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 2,6-Bis(bromomethyl)naphthalene?

The molecular formula is C12H10Br2.

What is the molecular weight of 2,6-Bis(bromomethyl)naphthalene?

The molecular weight is 314.01 g/mol.

What is the IUPAC name of 2,6-Bis(bromomethyl)naphthalene?

The IUPAC name is 2,6-bis(bromomethyl)naphthalene.

What is the InChI of 2,6-Bis(bromomethyl)naphthalene?

The InChI is InChI=1S/C12H10Br2/c13-7-9-1-3-11-6-10(8-14)2-4-12(11)5-9/h1-6H,7-8H2.

What is the InChIKey of 2,6-Bis(bromomethyl)naphthalene?

The InChIKey is JRHSGFPVPTWMND-UHFFFAOYSA-N.

What is the Canonical SMILES of 2,6-Bis(bromomethyl)naphthalene?

The Canonical SMILES is C1=CC2=C(C=CC(=C2)CBr)C=C1CBr.

What is the CAS number of 2,6-Bis(bromomethyl)naphthalene?

The CAS number is 4542-77-2.

What is the ChEMBL ID of 2,6-Bis(bromomethyl)naphthalene?

The ChEMBL ID is CHEMBL552161.

What is the XLogP3 value of 2,6-Bis(bromomethyl)naphthalene?

The XLogP3 value is 4.7.

Is 2,6-Bis(bromomethyl)naphthalene a covalently-bonded unit?

Yes, it has a covalently-bonded unit count of 1.

Synthetic Use

Upstream Synthesis Route 1

• 5859-93-8

• 4542-77-2

Reference: [1] Heteroatom Chemistry, 2001, vol. 12, # 4, p. 287 - 292
[2] New Journal of Chemistry, 2017, vol. 41, # 15, p. 6977 - 6980
[3] Inorganic Chemistry, 2016, vol. 55, # 12, p. 6315 - 6322
[4] Journal of Medicinal Chemistry, 1996, vol. 39, # 21, p. 4247 - 4254
[5] Chemistry Letters, 1998, # 7, p. 603 - 604

Upstream Synthesis Route 2

• 840-65-3

• 4542-77-2

Reference: [1] Heteroatom Chemistry, 2001, vol. 12, # 4, p. 287 - 292
[2] Chemistry Letters, 1998, # 7, p. 603 - 604
[3] Journal of Medicinal Chemistry, 1996, vol. 39, # 21, p. 4247 - 4254
[4] Inorganic Chemistry, 2016, vol. 55, # 12, p. 6315 - 6322
[5] New Journal of Chemistry, 2017, vol. 41, # 15, p. 6977 - 6980

Upstream Synthesis Route 3

• 581-42-0

• 4542-77-2

Reference: [1] Tetrahedron Letters, 1984, vol. 25, # 21, p. 2187 - 2190

Downstream Synthesis Route 1

• 110-86-1
• 4542-77-2

• 114003-25-7

Reference: [1]Chemische Berichte,1958,vol. 91,p. 2472,2477
[2]Bulletin of the Chemical Society of Japan,1998,vol. 71,p. 2323 - 2329

Downstream Synthesis Route 2

• 4542-77-2
• 143-33-9

• 4949-02-4

Reference: [1]Tetrahedron Letters,1984,vol. 25,p. 2187 - 2190

Downstream Synthesis Route 3

• 4542-77-2
• 127-08-2

• 5859-92-7

Reference: [1]Chemische Berichte,1981,vol. 114,p. 1520 - 1530
[2]Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques,1960,vol. 8,p. 147 - 149
[3]Journal of Organic Chemistry,1963,vol. 28,p. 2719 - 2724

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