(naphthalen-1-ylmethyl)triphenylphosphanium chloride

• ChemBase ID: 301866
• Molecular Formular: C29H24ClP
• Molecular Mass: 438.927621
• Monoisotopic Mass: 438.13041508
• SMILES: c1ccc(cc1)[P+](Cc1cccc2c1cccc2)(c1ccccc1)c1ccccc1.[Cl-]
• Canonical SMILES: c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)Cc1cccc2c1cccc2.[Cl-]
• InChI: InChI=1S/C29H24P.ClH/c1-4-16-26(17-5-1)30(27-18-6-2-7-19-27,28-20-8-3-9-21-28)23-25-15-12-14-24-13-10-11-22-29(24)25;/h1-22H,23H2;1H/q+1;/p-1
• InChIKey: MOYSMPXSEXYEJV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (naphthalen-1-ylmethyl)triphenylphosphanium chloride
• IUPAC Traditional name: (naphthalen-1-ylmethyl)triphenylphosphanium chloride
• Synonyms: (1-Naphthylmethyl)triphenylphosphonium chloride; (1-萘甲基)三苯基氯化磷

Database IDs

• CAS Number: 23277-00-1
• EC Number: 245-548-3
• MDL Number: MFCD00031658
• Beilstein Number: 3581515

CALCULATED PROPERTIES

• Acid pKa: 18.995298
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.3417406
• LogD (pH = 7.4): 7.3417406
• Log P: 7.3417406
• Molar Refractivity: 128.284 cm^3
• Polarizability: 51.70535 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: >300°C

Safety Information

• 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: 95%