triphenyl(propyl)phosphanium bromide

• ChemBase ID: 81342
• Molecular Formular: C21H22BrP
• Molecular Mass: 385.277141
• Monoisotopic Mass: 384.06424933
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCC.[Br-]
• Canonical SMILES: CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C21H22P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1
• InChIKey: XMQSELBBYSAURN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenyl(propyl)phosphanium bromide
• IUPAC Traditional name: triphenyl(propyl)phosphanium bromide
• Synonyms: Propyltriphenylphosphonium bromide; NSC 50539; Propyltriphenylphosphonium bromide; Triphenylpropylphosphonium bromide; Propyl(triphenyl)phosphonium bromide; Triphenyl-n-propylphosphonium bromide; (1-Propyl)triphenylphosphonium bromide; Propyltriphenylphosphonium bromide; 丙基三苯基溴化膦; 丙基三苯基溴化膦; 三苯基丙基溴化膦; (1-丙基)三苯基溴化磷鎓

Database IDs

• CAS Number: 6228-47-3
• EC Number: 228-330-2
• MDL Number: MFCD00011843
• Beilstein Number: 3599726
• PubChem SID: 162068461; 24848023; 24887975
• PubChem CID: 80374

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.507121
• LogD (pH = 7.4): 5.507121
• Log P: 5.507121
• Molar Refractivity: 96.4938 cm^3
• Polarizability: 38.127934 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 235-238 °C(lit.); 236-240°C

Safety Information

• Storage Warning: Hygroscopic; Irritant/Hygroscopic
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 21/22; 36/37/38
• Safety Statements: 26-37; 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (AT); 98%; 99%
• Linear Formula: (C6H5)3P(Br)CH2CH2CH3; CH3CH2CH2P(C6H5)3Br

DETAILS

Sigma Aldrich - 131563

Packaging
25 g in poly bottle
Application
Catalyst for the carboxylation of styrene oxide1Reactant involved in:
• Epoxidation of arylalkenes2
• Boration of allylic epoxides3
• Wittig reactions4
• Selective dimerization of α-olefins5
• Synthesis of indoles6

Sigma Aldrich - 82468

Application
Catalyst for the carboxylation of styrene oxide1Reactant involved in:
• Epoxidation of arylalkenes2
• Boration of allylic epoxides3
• Wittig reactions4
• Selective dimerization of α-olefins5
• Synthesis of indoles6