2,4,6-Tris(4-bromophenyl)-1,3,5-triazine

• CAS: 30363-03-2
• Catalog Number: ACM30363032-1
• Category: Other Products
• Molecular Weight: 546.05
• Molecular Formula: C21H12Br3N3
• Synonyms: Tris(4-Bromophenyl)-1,3,5-Triazine
• IUPAC Name: 2,4,6-tris(4-bromophenyl)-1,3,5-triazine
• Canonical SMILES: C1=CC(=CC=C1C2=NC(=NC(=N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br
• InChI: 1S/C21H12Br3N3/c22-16-7-1-13(2-8-16)19-25-20(14-3-9-17(23)10-4-14)27-21(26-19)15-5-11-18(24)12-6-15/h1-12H
• InChI Key: WZYVDGDZBNQVCF-UHFFFAOYSA-N
• Boiling Point: 633.4 at 760 mmHg
• Melting Point: >300 °C
• Appearance: White powder
• Storage: Keep in dark place,Sealed in dry,Room Temperature
• Complexity: 377
• Covalently-Bonded Unit Count: 1
• Exact Mass: 544.85609g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 27
• Monoisotopic Mass: 542.85814g/mol
• Rotatable Bond Count: 3
• XLogP3: 7

Custom Q&A

What is the molecular formula of 2,4,6-Tris(4-bromophenyl)-1,3,5-triazine?

The molecular formula is C21H12Br3N3.

When was the chemical first created and last modified in the reference?

The chemical was first created on 2005-08-08 and last modified on 2023-12-30.

What is the IUPAC name of 2,4,6-Tris(4-bromophenyl)-1,3,5-triazine?

The IUPAC name is 2,4,6-tris(4-bromophenyl)-1,3,5-triazine.

What is the InChIKey of 2,4,6-Tris(4-bromophenyl)-1,3,5-triazine?

The InChIKey is WZYVDGDZBNQVCF-UHFFFAOYSA-N.

How many hydrogen bond acceptors does the compound have?

The compound has 3 hydrogen bond acceptors.

What is the heavy atom count of 2,4,6-Tris(4-bromophenyl)-1,3,5-triazine?

The heavy atom count is 27.

What is the topological polar surface area of the compound?

The topological polar surface area is 38.7 Å^2.

Is the compound canonicalized according to PubChem?

Yes, the compound is canonicalized.

What is the formal charge of 2,4,6-Tris(4-bromophenyl)-1,3,5-triazine?

The formal charge is 0.

What is the exact mass of the compound?

The exact mass is 544.85609 g/mol.

Synthetic Use

Upstream Synthesis Route 1

• 623-00-7

• 30363-03-2

Reference: [1] Dalton Transactions, 2015, vol. 44, # 8, p. 3720 - 3723

Upstream Synthesis Route 2

• 623-00-7

• 30363-03-2

Reference: [1]Chemical Communications,2020,vol. 56,p. 766 - 769

Downstream Synthesis Route 1

• 1204702-77-1
• 30363-03-2

• 23449-08-3

Reference: [1] Patent: US2010/184942, 2010, A1,

Downstream Synthesis Route 2

• 30363-03-2

• 14544-47-9

Reference: [1] Chemistry - A European Journal, 2006, vol. 12, # 3, p. 763 - 776
[2] Journal of Materials Chemistry A, 2015, vol. 3, # 2, p. 878 - 885
[3] Journal of the American Chemical Society, 2018, vol. 140, # 15, p. 5248 - 5256

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