Synonyms
(1-Pentyl)triphenylphosphonium bromide; (n-Amyl)triphenylphosphonium bromide
IUPAC Name
pentyl(triphenyl)phosphanium;bromide
Molecular Weight
413.33
Molecular Formula
C23H26BrP
Canonical SMILES
CCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-];
InChI
VAUKWMSXUKODHR-UHFFFAOYSA-M
InChI Key
InChI=1S/C23H26P.BrH/c1-2-3-13-20-24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;/h4-12,14-19H,2-3,13,20H2,1H3;1H/q+1;/p-1
Melting Point
165-168 °C
Purity
98%
Appearance
Solid
Complexity
286
Covalently-Bonded Unit Count
2
EC Number
244-374-5
Exact Mass
412.096g/mol
H-Bond Acceptor
1
Heavy Atom Count
25
Isomeric SMILES
CCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
Monoisotopic Mass
412.096g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
0A^2
