Synonyms
5-(Triphenylphosphonio)pentanoic acid bromide; Carboxybutyltriphenylphosphonium bromide
IUPAC Name
4-carboxybutyl(triphenyl)phosphanium;bromide
Molecular Weight
443.32
Molecular Formula
C23H24O2PBr
Canonical SMILES
C1=CC=C(C=C1)[P+](CCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-];
InChI
MLOSJPZSZWUDSK-UHFFFAOYSA-N
InChI Key
InChI=1S/C23H23O2P.BrH/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H
Melting Point
204-207 °C(lit.)
Flash Point
383 °F
Purity
98%
Appearance
Solid
Storage
Refrigerator
Complexity
372
Covalently-Bonded Unit Count
2
EC Number
241-782-5
Exact Mass
442.07g/mol
H-Bond Acceptor
3
H-Bond Donor
1
Heavy Atom Count
27
Isomeric SMILES
C1=CC=C(C=C1)[P+](CCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
Monoisotopic Mass
442.07g/mol
NSC Number
147756
Rotatable Bond Count
8
Topological Polar Surface Area
37.3A^2
