Pentadecyltriphenylphosphonium Bromide - CAS 1944-80-5

Catalog:	BB058340
Product Name:	Pentadecyltriphenylphosphonium Bromide
CAS:	1944-80-5
Synonyms:	Phosphonium, pentadecyltriphenyl-, bromide; Pentadecyltriphenylphosphonium Bromide; pentadecyl(triphenyl)phosphanium; bromide

Technical Data

IUPAC Name:	pentadecyl(triphenyl)phosphaniumbromide
Description:	Pentadecyltriphenylphosphonium Bromide is an intermediate used in the synthesis of (Z)-12-Heptacosene (H635230), which is an unsaturated lipid and a component of sex pheromones of queen bees (Bobus terrestris) and species of orchids.
Molecular Weight:	553.6
Molecular Formula:	C33H46BrP
Canonical SMILES:	CCCCCCCCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
InChI:	InChI=1S/C33H46P.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-30-34(31-24-17-14-18-25-31,32-26-19-15-20-27-32)33-28-21-16-22-29-33/h14-22,24-29H,2-13,23,30H2,1H31H/q+1/p-1
InChI Key:	RRHIUXFFPSVTOY-UHFFFAOYSA-M
References:	Xu, S.; et al. Evolution, 65, 2606 (2011); Krieger, G. M.; et al. L J. Chem. Ecol., 32, 453 (2006)..

Complexity:	421
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	552.25205
Formal Charge:	0
Heavy Atom Count:	35
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	552.25205
Rotatable Bond Count:	17
Topological Polar Surface Area:	0Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0