hexyltriphenylphosphanium bromide

• ChemBase ID: 111791
• Molecular Formular: C24H28BrP
• Molecular Mass: 427.356881
• Monoisotopic Mass: 426.11119953
• SMILES: [Br-].CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C24H28P.BrH/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24;/h5-13,15-20H,2-4,14,21H2,1H3;1H/q+1;/p-1
• InChIKey: PWDFZWZPWFYFTC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hexyltriphenylphosphanium bromide
• IUPAC Traditional name: hexyltriphenylphosphanium bromide
• Synonyms: n-HEXYL TRIPHENYL PHOSPHONIUMBROMIDE; (1-Hexyl)triphenylphosphonium bromide; Hexyltriphenylphosphonium bromide; (1-己基)三苯基溴化磷鎓; (1-己基)三苯基溴化磷

Database IDs

• CAS Number: 4762-26-9
• EC Number: 225-301-6
• MDL Number: MFCD00011860
• Beilstein Number: 3580731
• PubChem SID: 24858187; 162096805
• PubChem CID: 2724569

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.8408275
• LogD (pH = 7.4): 6.8408275
• Log P: 6.8408275
• Molar Refractivity: 110.2968 cm^3
• Polarizability: 43.66885 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 199-202°C; 201-204 °C(lit.)

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 26-36/37; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335; 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%
• Linear Formula: CH3(CH2)5P(C6H5)3Br

DETAILS

MP Biomedicals - 05221000

MP Biomedicals Rare Chemical collection