ethyltriphenylphosphanium chloride

• ChemBase ID: 295869
• Molecular Formular: C20H20ClP
• Molecular Mass: 326.799561
• Monoisotopic Mass: 326.09911495
• SMILES: CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• Canonical SMILES: CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• InChI: InChI=1S/C20H20P.ClH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,2H2,1H3;1H/q+1;/p-1
• InChIKey: NJXBVBPTDHBAID-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyltriphenylphosphanium chloride
• IUPAC Traditional name: ethyltriphenylphosphanium chloride
• Synonyms: Ethyltriphenylphosphonium chloride; 三苯基乙基氯化膦

Database IDs

• CAS Number: 896-33-3
• EC Number: 000-000-0
• MDL Number: MFCD00044699
• Beilstein Number: 4170030
• PubChem SID: 180681400
• PubChem CID: 2724572

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.984599
• LogD (pH = 7.4): 4.984599
• Log P: 4.984599
• Molar Refractivity: 91.9698 cm^3
• Polarizability: 36.28101 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 235°C dec.

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Nature polluting (N); X
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 21/22-36/37/38-51/53
• Safety Statements: 26-36/37-57
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS09
• GHS Hazard statements: H301-H311-H315-H319-H335-H411-H401
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P361-P405-P501A

Product Information

• Purity: 98%