Phenethyltriphenylphosphonium Bromide - CAS 53213-26-6
Catalog: |
BB058238 |
Product Name: |
Phenethyltriphenylphosphonium Bromide |
CAS: |
53213-26-6 |
Synonyms: |
Triphenyl(2-phenylethyl)phosphonium Bromide;(2-Phenylethyl)triphenylphosphonium bromide; NSC 165203 |
IUPAC Name: | triphenyl(2-phenylethyl)phosphaniumbromide |
Description: | Phenethyltriphenylphosphonium bromide is classified as an arylphosophonium salt. Studies have shown that various arylphosphonium salts interact with DNA to modulate cytotoxicity. Substituted triphenylbenzyl phosphonium salts have also been studied as antibacterial agents by quarternization of triphenylphosphine with benzyl halides. |
Molecular Weight: | 447.35 |
Molecular Formula: | C26H24P·Br |
Canonical SMILES: | C1=CC=C(C=C1)CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-] |
InChI: | InChI=1S/C26H24P.BrH/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H21H/q+1/p-1 |
InChI Key: | WOPGHMKDMNSLIR-UHFFFAOYSA-M |
References: | Listvan, V.N., et al. Zhurnal. Organichnio. ta. Farmatsevtichnoi Khimii., 6, 77 (2008); Bergeron, K.L., et al. Mutation Rsch. Genetic. Toxicol. Enviro. Mutagenesis., 637, 141 (2009). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 360 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 446.0799 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 446.0799 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 0Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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