triphenyl(prop-2-en-1-yl)phosphanium chloride

• ChemBase ID: 86057
• Molecular Formular: C21H20ClP
• Molecular Mass: 338.810261
• Monoisotopic Mass: 338.09911495
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CC=C.[Cl-]
• Canonical SMILES: C=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• InChI: InChI=1S/C21H20P.ClH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h2-17H,1,18H2;1H/q+1;/p-1
• InChIKey: FKMJROWWQOJRJX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenyl(prop-2-en-1-yl)phosphanium chloride
• IUPAC Traditional name: triphenyl(prop-2-en-1-yl)phosphanium chloride
• Synonyms: Allyltriphenylphosphonium chloride; allyl(triphenyl)phosphonium chloride; Allyltriphenylphosphonium chloride; 烯丙基三苯基氯化膦; 烯丙基三苯基氯化鏻

Database IDs

• CAS Number: 18480-23-4
• EC Number: 242-368-7
• MDL Number: MFCD00031542
• Beilstein Number: 4169778
• PubChem SID: 162073173
• PubChem CID: 2734120

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.3590407
• LogD (pH = 7.4): 5.3590407
• Log P: 5.3590407
• Molar Refractivity: 96.3839 cm^3
• Polarizability: 37.899105 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 230-232°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%; 99%
• Linear Formula: CH2=CHCH2P(Cl)(C6H5)3