P-Xylylenebis(triphenylphosphonium bromide)

• CAS: 40817-03-6
• Catalog Number: ACM40817036-1
• Category: Organic Phosphine Compounds
• Molecular Weight: 788.55
• Molecular Formula: C44H38Br2P2
• Synonyms: (1,4-Phenylenebis(methylene))bis(triphenylphosphonium) bromide
• IUPAC Name: triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium;dibromide
• Canonical SMILES: C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-].[Br-]
• InChI: ZZQVVCXWFPGKJD-UHFFFAOYSA-L
• InChI Key: InChI=1S/C44H38P2.2BrH/c1-7-19-39(20-8-1)45(40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-37-31-33-38(34-32-37)36-46(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44;;/h1-34H,35-36H2;2*1H/q+2;;/p-2
• Melting Point: >300 °C(lit.)
• Appearance: Solid
• Application: suzuki reaction
• Complexity: 689
• Covalently-Bonded Unit Count: 3
• EC Number: 255-092-7
• Exact Mass: 788.08g/mol
• H-Bond Acceptor: 2
• Heavy Atom Count: 48
• Isomeric SMILES: C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-].[Br-]
• Monoisotopic Mass: 786.082g/mol
• Rotatable Bond Count: 10
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the CAS number of p-Xylylenebis(triphenylphosphonium bromide)?

The CAS number of p-Xylylenebis(triphenylphosphonium bromide) is 40817-03-6.

What is the Canonical SMILES of p-Xylylenebis(triphenylphosphonium bromide)?

The Canonical SMILES of p-Xylylenebis(triphenylphosphonium bromide) is C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-].[Br-]

How many Covalently-Bonded Unit Counts are there in p-Xylylenebis(triphenylphosphonium bromide)?

There are 3 Covalently-Bonded Unit Counts in p-Xylylenebis(triphenylphosphonium bromide).

What is the Heavy Atom Count in p-Xylylenebis(triphenylphosphonium bromide)?

The Heavy Atom Count in p-Xylylenebis(triphenylphosphonium bromide) is 48.

How many Rotatable Bond Counts are there in p-Xylylenebis(triphenylphosphonium bromide)?

There are 10 Rotatable Bond Counts in p-Xylylenebis(triphenylphosphonium bromide).

What is the Exact Mass of p-Xylylenebis(triphenylphosphonium bromide)?

The Exact Mass of p-Xylylenebis(triphenylphosphonium bromide) is 788.07950.

What is the IUPAC Name of p-Xylylenebis(triphenylphosphonium bromide)?

The IUPAC Name of p-Xylylenebis(triphenylphosphonium bromide) is triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium;dibromide.

What is the Molecular Formula of p-Xylylenebis(triphenylphosphonium bromide)?

The Molecular Formula of p-Xylylenebis(triphenylphosphonium bromide) is C44H38Br2P2.

What is the Monoisotopic Mass of p-Xylylenebis(triphenylphosphonium bromide)?

The Monoisotopic Mass of p-Xylylenebis(triphenylphosphonium bromide) is 786.08155.

What is the InChIKey of p-Xylylenebis(triphenylphosphonium bromide)?

The InChIKey of p-Xylylenebis(triphenylphosphonium bromide) is ZZQVVCXWFPGKJD-UHFFFAOYSA-L.