decyltriphenylphosphanium bromide

• ChemBase ID: 78380
• Molecular Formular: C28H36BrP
• Molecular Mass: 483.463201
• Monoisotopic Mass: 482.17379978
• SMILES: [Br-].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCCCCCCCCC
• Canonical SMILES: CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C28H36P.BrH/c1-2-3-4-5-6-7-8-18-25-29(26-19-12-9-13-20-26,27-21-14-10-15-22-27)28-23-16-11-17-24-28;/h9-17,19-24H,2-8,18,25H2,1H3;1H/q+1;/p-1
• InChIKey: GVPLMQGXUUHCSB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: decyltriphenylphosphanium bromide
• IUPAC Traditional name: decyltriphenylphosphanium bromide
• Synonyms: (1-Decyl)triphenylphosphonium bromide; n-Decyltriphenylphosphonium bromide; (1-癸基)三苯基溴化磷鎓

Database IDs

• CAS Number: 32339-43-8
• EC Number: 250-996-8
• MDL Number: MFCD00051854
• Beilstein Number: 4076987
• PubChem SID: 162043149
• PubChem CID: 3084561

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.619102
• LogD (pH = 7.4): 8.619102
• Log P: 8.619102
• Molar Refractivity: 128.7008 cm^3
• Polarizability: 51.056812 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 87-90°C; ca 90°C

Safety Information

• Storage Warning: Hygroscopic; Irritant/Hygroscopic/Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%