ethyltriphenylphosphanium acetate

• ChemBase ID: 287247
• Molecular Formular: C22H23O2P
• Molecular Mass: 350.390581
• Monoisotopic Mass: 350.14356661
• SMILES: CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)C.CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H20P.C2H4O2/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-2(3)4/h3-17H,2H2,1H3;1H3,(H,3,4)/q+1;/p-1
• InChIKey: HZZUMXSLPJFMCB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyltriphenylphosphanium acetate
• IUPAC Traditional name: ethyltriphenylphosphanium acetate
• Synonyms: Ethyltriphenylphosphonium acetate; Ethyltriphenylphosphonium acetate; 乙基三苯基醋酸膦

Database IDs

• CAS Number: 35835-94-0
• MDL Number: MFCD00061389
• PubChem SID: 180672778
• PubChem CID: 94470

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

• Apperance: Liquid
• Flash Point: -17°C(0°F)
• Density: 1.05

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-23/25-36/37/38
• Safety Statements: 9-26-28-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06
• GHS Hazard statements: H224-H300-H330-H315-H319-H335
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P405-P501A

Product Information

• Purity: 70% in methanol; 95+%