dodecyltriphenylphosphanium bromide

• ChemBase ID: 80160
• Molecular Formular: C30H40BrP
• Molecular Mass: 511.516361
• Monoisotopic Mass: 510.20509991
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCCCCCCCCCCC.[Br-]
• Canonical SMILES: CCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C30H40P.BrH/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28,29-23-16-12-17-24-29)30-25-18-13-19-26-30;/h11-19,21-26H,2-10,20,27H2,1H3;1H/q+1;/p-1
• InChIKey: NSIFOGPAKNSGNW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecyltriphenylphosphanium bromide
• IUPAC Traditional name: dodecyltriphenylphosphanium bromide
• Synonyms: dodecyl(triphenyl)phosphonium bromide; Dodecyltriphenylphosphonium bromide; Dodecyltriphenylphosphonium bromide; Lauryltriphenylphosphonium bromide; (1-Dodecyl)triphenylphosphonium bromide; 十二烷基三苯基溴化磷; (1-十二烷基)三苯基溴化磷鎓

Database IDs

• CAS Number: 15510-55-1
• EC Number: 239-538-8
• MDL Number: MFCD00031546
• Beilstein Number: 3581921
• PubChem SID: 24850411; 162067280
• PubChem CID: 84955

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.50824
• LogD (pH = 7.4): 9.50824
• Log P: 9.50824
• Molar Refractivity: 137.9028 cm^3
• Polarizability: 54.750816 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 85-88 °C(lit.); 90-94°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%; 98%; 98+%
• Linear Formula: CH3(CH2)11P(C6H5)3Br

DETAILS

Sigma Aldrich - 172626

Packaging
10 g in glass bottle
Application
Involved in comparative electrochemical studies of anticorrosion efficiency of nanocomposite coatings1Intercalating agent for modifying anticorrosion, gas barrier, mechanical and thermal properties of nanocomposite coatings2Mediator for reactions of nitrophenyl acetate3Studies of:
• Nucleophilic substitution kinetics of sulfonate ester4
• Intercalated polyester / silicate nanocomposites5
• Thermal stability of quaternary phosphonium-modified montmorillonites in silicate layered polymer nanocomposites6