Synonyms
Cetyl triphenylphosphonium bromide
IUPAC Name
hexadecyl(triphenyl)phosphanium;bromide;
Molecular Weight
567.62
Molecular Formula
C34H48BrP
Canonical SMILES
CCCCCCCCCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
InChI
InChI=1S/C34H48P.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-31-35(32-25-18-15-19-26-32,33-27-20-16-21-28-33)34-29-22-17-23-30-34;/h15-23,25-30H,2-14,24,31H2,1H3;1H/q+1;/p-1
InChI Key
UXMZNEHSMYESLH-UHFFFAOYSA-M
Melting Point
99-101 °C
Purity
98%+
Solubility
Soluble in ethanol; slightly soluble in water
Complexity
435
Covalently-Bonded Unit Count
2
EC Number
238-939-5
Exact Mass
566.2677
H-Bond Acceptor
1
Heavy Atom Count
36
Monoisotopic Mass
566.2677
Physical State
Solid
Rotatable Bond Count
18
Topological Polar Surface Area
0 Ų
