methyltriphenylphosphanium chloride

• ChemBase ID: 147301
• Molecular Formular: C19H18ClP
• Molecular Mass: 312.772981
• Monoisotopic Mass: 312.08346489
• SMILES: C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• Canonical SMILES: C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• InChI: InChI=1S/C19H18P.ClH/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1
• InChIKey: QRPRIOOKPZSVFN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: methyltriphenylphosphanium chloride
• IUPAC Traditional name: methyltriphenylphosphanium chloride
• Synonyms: Methyltriphenylphosphonium chloride; Methyltriphenylphosphonium chloride; 甲基三苯基氯化膦

Database IDs

• CAS Number: 1031-15-8
• EC Number: 418-400-2
• MDL Number: MFCD00797851
• PubChem SID: 162241491; 24870456
• PubChem CID: 9879809

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.731569
• LogD (pH = 7.4): 4.731569
• Log P: 4.731569
• Molar Refractivity: 87.172 cm^3
• Polarizability: 34.434486 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 221 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 21/22-38-41-51/53
• Safety Statements: 22-26-36/37/39-61
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H315-H318-H411
• GHS Precautionary statements: P273-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 95+%; 97%
• Linear Formula: CH3P(C6H5)3Cl

DETAILS

Sigma Aldrich - 468002

Packaging
5, 25 g in glass bottle
Application
Catalyst for regio-controlled ring-opening polymerization of substituted epoxides1Used for:
• Corrosion inhibition of iron2
• Neoplasm inhibition via antimitochondrial effect3Reactant for intramolecular nitrone cycloaddition4