(hydroxymethyl)triphenylphosphanium chloride

• ChemBase ID: 286831
• Molecular Formular: C19H18ClOP
• Molecular Mass: 328.772381
• Monoisotopic Mass: 328.07837951
• SMILES: OC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• Canonical SMILES: OC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• InChI: InChI=1S/C19H18OP.ClH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15,20H,16H2;1H/q+1;/p-1
• InChIKey: VTXFLDLWTNQCAL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (hydroxymethyl)triphenylphosphanium chloride
• IUPAC Traditional name: (hydroxymethyl)triphenylphosphanium chloride
• Synonyms: (Hydroxymethyl)triphenylphosphonium chloride; (Hydroxymethyl)triphenylphosphonium chloride; (羟基甲基)三苯基氯化鏻

Database IDs

• CAS Number: 5293-83-4
• EC Number: 226-138-3
• MDL Number: MFCD00031688
• Beilstein Number: 4170800
• PubChem SID: 180672362
• PubChem CID: 3083895

CALCULATED PROPERTIES

• Acid pKa: 14.357097
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.686824
• LogD (pH = 7.4): 3.686824
• Log P: 3.686824
• Molar Refractivity: 88.6082 cm^3
• Polarizability: 34.98818 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 194-198°C

Safety Information

• Storage Warning: Hygroscopic
• 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+%; 98%