Synonyms
(1-Hexyl)triphenylphosphonium bromide
IUPAC Name
hexyl(triphenyl)phosphanium;bromide
Molecular Weight
427.37
Molecular Formula
C24H28BrP
Canonical SMILES
CCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-];
InChI
PWDFZWZPWFYFTC-UHFFFAOYSA-M
InChI Key
InChI=1S/C24H28P.BrH/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24;/h5-13,15-20H,2-4,14,21H2,1H3;1H/q+1;/p-1
Melting Point
201-204 °C(lit.)
Purity
98%
Appearance
Solid
Storage
Store below +30°C.
Complexity
300
Covalently-Bonded Unit Count
2
EC Number
225-301-6
Exact Mass
426.111g/mol
H-Bond Acceptor
1
Heavy Atom Count
26
Isomeric SMILES
CCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
Monoisotopic Mass
426.111g/mol
NSC Number
151420
Rotatable Bond Count
8
Topological Polar Surface Area
0A^2
