(2-hydroxyethyl)triphenylphosphanium chloride

• ChemBase ID: 74870
• Molecular Formular: C20H20ClOP
• Molecular Mass: 342.798961
• Monoisotopic Mass: 342.09402957
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCO.[Cl-]
• Canonical SMILES: OCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• InChI: InChI=1S/C20H20OP.ClH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1
• InChIKey: NOEABYSOSUWXKG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-hydroxyethyl)triphenylphosphanium chloride
• IUPAC Traditional name: (2-hydroxyethyl)triphenylphosphanium chloride
• Synonyms: (2-Hydroxyethyl)triphenylphosphonium chloride; (2-Hydroxyethyl)triphenylphosphonium chloride; 氯化(2-羟乙基)三苯基磷

Database IDs

• CAS Number: 23250-03-5
• EC Number: 245-521-6
• MDL Number: MFCD00011754
• Beilstein Number: 3922778
• PubChem SID: 24878811; 162039788
• PubChem CID: 520034

CALCULATED PROPERTIES

• Acid pKa: 15.425863
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.7817814
• LogD (pH = 7.4): 3.7817814
• Log P: 3.7817814
• Molar Refractivity: 93.6675 cm^3
• Polarizability: 36.838673 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 234-235 °C (dec.)(lit.); 238-240 °C (dec.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0%; 98%
• Linear Formula: HOCH2CH2P(C6H5)3Cl

DETAILS

Sigma Aldrich - 54514

Packaging
10 g in glass bottle
Application
Reagent for:
• Wittig reaction1

Sigma Aldrich - H30658

Application
Reagent for:
• Wittig reaction1