tributyl(hexadecyl)phosphanium bromide

• ChemBase ID: 92470
• Molecular Formular: C28H60BrP
• Molecular Mass: 507.653761
• Monoisotopic Mass: 506.36160055
• SMILES: [P+](CCCC)(CCCC)(CCCCCCCCCCCCCCCC)CCCC.[Br-]
• Canonical SMILES: CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]
• InChI: InChI=1S/C28H60P.BrH/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1
• InChIKey: RYVBINGWVJJDPU-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(hexadecyl)phosphanium bromide
• IUPAC Traditional name: tributyl(hexadecyl)phosphanium bromide
• Synonyms: Tributylhexadecylphosphonium bromide; TBHDPB; Tributylhexadecylphosphonium bromide 98%; Hexadecyltributylphosphonium bromide; Tributylhexadecylphosphonium bromide; CETYLTRIBUTYLPHOSPHONIUM BROMIDE; Tributyl(hexadecyl)phosphonium bromide; Cetyltri-n-butyl phosphonium bromide; Tri-n-butylhexadecylphosphonium bromide; (n-Hexadecyl)tri-n-butylphosphonium bromide; 十六烷基三丁基溴化膦; 三丁基十六烷基溴化膦; (正十六烷基)三正丁溴化基膦

Database IDs

• CAS Number: 14937-45-2
• EC Number: 239-014-9
• MDL Number: MFCD00011775
• Beilstein Number: 4167404
• PubChem SID: 24856693; 162079168
• PubChem CID: 84716

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.907003
• LogD (pH = 7.4): 10.907003
• Log P: 10.907003
• Molar Refractivity: 138.2996 cm^3
• Polarizability: 55.51205 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 24
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: methanol: soluble0.1 g/mL, clear
• Melting Point: 56-58 °C(lit.); 56-58°C; 57-60°C; 57-62 °C

Safety Information

• Storage Warning: Hygroscopic; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-36/37
• TSCA Listed: 是
• 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: ≥95.0% (AT); 95+%; 97%; 98+%
• Grade: purum
• Linear Formula: CH3(CH2)15P+[(CH2)3CH3]3Br-

DETAILS

MP Biomedicals - 02150593

Phase transfer catalyst.

Sigma Aldrich - 276200

Packaging
5, 25, 100 g in glass bottle

Sigma Aldrich - 52353

Application
Phase-transfer-catalyst