(4-Bromobenzyl)triphenylphosphonium bromide

• CAS: 51044-13-4
• Catalog Number: ACM51044134-1
• Category: Organic Phosphine Compounds
• Molecular Weight: 512.24
• Molecular Formula: C25H21Br2P
• Synonyms: MFCD00051922 (97%); (4-bromophenyl)methyl-triphenylphosphanium bromide; 7071AB; CC-18442; C25H21Br2P; 4-bromobenzyl triphenylphosphonium bromide; ACM51044134; Phosphonium, [(4-bromophenyl)methyl]triphenyl-, bromide; 4-Bromobenzyltriphenylphosphoniumbromide; ST24026262
• IUPAC Name: (4-bromophenyl)methyl-triphenylphosphanium;bromide
• Canonical SMILES: C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)Br)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
• InChI: FQJYKXVQABPCRA-UHFFFAOYSA-M
• InChI Key: InChI=1S/C25H21BrP.BrH/c26-22-18-16-21(17-19-22)20-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1
• Melting Point: 270-273 °C
• Appearance: Solid
• Complexity: 378
• Covalently-Bonded Unit Count: 2
• Exact Mass: 511.973g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 28
• Isomeric SMILES: C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)Br)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
• Monoisotopic Mass: 509.975g/mol
• Rotatable Bond Count: 5
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the CAS number for (4-Bromobenzyl)triphenylphosphonium bromide?

The CAS number for (4-Bromobenzyl)triphenylphosphonium bromide is 51044-13-4.

What is the molecular formula of (4-Bromobenzyl)triphenylphosphonium bromide?

The molecular formula of (4-Bromobenzyl)triphenylphosphonium bromide is C25H21Br2P.

What is the exact mass of (4-Bromobenzyl)triphenylphosphonium bromide?

The exact mass of (4-Bromobenzyl)triphenylphosphonium bromide is 511.97271.

How many heavy atoms are present in the structure of (4-Bromobenzyl)triphenylphosphonium bromide?

There are 28 heavy atoms present in the structure of (4-Bromobenzyl)triphenylphosphonium bromide.

What is the canonical SMILES for (4-Bromobenzyl)triphenylphosphonium bromide?

The canonical SMILES for (4-Bromobenzyl)triphenylphosphonium bromide is C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)Br)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-].

What is the monoisotopic mass of (4-Bromobenzyl)triphenylphosphonium bromide?

The monoisotopic mass of (4-Bromobenzyl)triphenylphosphonium bromide is 509.97476.

How many computed properties covalently-bonded unit count are there in (4-Bromobenzyl)triphenylphosphonium bromide?

There are 2 computed properties covalently-bonded unit count in (4-Bromobenzyl)triphenylphosphonium bromide.

What is the IUPAC name for (4-Bromobenzyl)triphenylphosphonium bromide?

The IUPAC name for (4-Bromobenzyl)triphenylphosphonium bromide is (4-bromophenyl)methyl-triphenylphosphanium;bromide.

How many rotatable bond count are there in (4-Bromobenzyl)triphenylphosphonium bromide?

There are 5 rotatable bond count in (4-Bromobenzyl)triphenylphosphonium bromide.

What is the InChIKey for (4-Bromobenzyl)triphenylphosphonium bromide?

The InChIKey for (4-Bromobenzyl)triphenylphosphonium bromide is FQJYKXVQABPCRA-UHFFFAOYSA-M.