(2H3)methyltriphenylphosphanium bromide

• ChemBase ID: 151066
• Molecular Formular: C19H18BrP
• Molecular Mass: 357.223981
• Monoisotopic Mass: 356.03294921
• SMILES: C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• Canonical SMILES: C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C19H18P.BrH/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: LSEFCHWGJNHZNT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₃)methyltriphenylphosphanium bromide
• IUPAC Traditional name: (^2H₃)methyltriphenylphosphanium bromide
• Synonyms: Methyl-d3-triphenylphosphonium bromide; 甲基-d3-三苯基溴化膦

Database IDs

• CAS Number: 1787-44-6
• EC Number: 217-248-2
• MDL Number: MFCD00064524
• PubChem SID: 162245225; 24872225
• PubChem CID: 11360385

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: 34.437588 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 233-235 °C(lit.)
• Mass Shift: M+3

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

Product Information

• Isotopic Purity: 95 atom % D
• Mol. Weight: mol wt 360.10 by atom % calculation
• Linear Formula: CD3P(C6H5)3Br

DETAILS

Sigma Aldrich - 486906

Packaging
10 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.