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
Molecular Weight
512.24
Molecular Formula
C25H21Br2P
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
Purity
98%
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
