Synonyms
Octyl(Triphenyl)Phosphanium Bromide
IUPAC Name
octyl(triphenyl)phosphanium;bromide
Molecular Weight
455.41
Molecular Formula
C26H32BrP
Canonical SMILES
CCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-];
InChI
OBLXVLWZBMAMHE-UHFFFAOYSA-M
InChI Key
InChI=1S/C26H32P.BrH/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26;/h7-15,17-22H,2-6,16,23H2,1H3;1H/q+1;/p-1
Melting Point
61-63 °C
Purity
98%
Appearance
Solid
Complexity
326
Covalently-Bonded Unit Count
2
EC Number
255-635-8
Exact Mass
454.143g/mol
H-Bond Acceptor
1
Heavy Atom Count
28
Isomeric SMILES
CCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
Monoisotopic Mass
454.143g/mol
Rotatable Bond Count
10
Topological Polar Surface Area
0A^2
