[(2-methylphenyl)methyl]triphenylphosphanium chloride

• ChemBase ID: 295172
• Molecular Formular: C26H24ClP
• Molecular Mass: 402.895521
• Monoisotopic Mass: 402.13041508
• SMILES: Cc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• Canonical SMILES: Cc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• InChI: InChI=1S/C26H24P.ClH/c1-22-13-11-12-14-23(22)21-27(24-15-5-2-6-16-24,25-17-7-3-8-18-25)26-19-9-4-10-20-26;/h2-20H,21H2,1H3;1H/q+1;/p-1
• InChIKey: RDHRQYBAQXBTNT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methylphenyl)methyl]triphenylphosphanium chloride
• IUPAC Traditional name: [(2-methylphenyl)methyl]triphenylphosphanium chloride
• Synonyms: (2-Methylbenzyl)triphenylphosphonium chloride; (2-甲基苄基)三苯基氯化磷鎓

Database IDs

• CAS Number: 63368-36-5
• EC Number: 264-112-3
• MDL Number: MFCD00031577
• Beilstein Number: 4172676
• PubChem SID: 180680703
• PubChem CID: 113182

CALCULATED PROPERTIES

• Acid pKa: 18.4477
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.8656855
• LogD (pH = 7.4): 6.8656855
• Log P: 6.8656855
• Molar Refractivity: 116.875 cm^3
• Polarizability: 45.839397 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 270-275°C

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 98+%