(cyclopropylmethyl)triphenylphosphanium bromide

• ChemBase ID: 301881
• Molecular Formular: C22H22BrP
• Molecular Mass: 397.287841
• Monoisotopic Mass: 396.06424933
• SMILES: c1ccc(cc1)[P+](CC1CC1)(c1ccccc1)c1ccccc1.[Br-]
• Canonical SMILES: C1CC1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C22H22P.BrH/c1-4-10-20(11-5-1)23(18-19-16-17-19,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-15,19H,16-18H2;1H/q+1;/p-1
• InChIKey: WFQSHRSBITUSIB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)triphenylphosphanium bromide
• IUPAC Traditional name: (cyclopropylmethyl)triphenylphosphanium bromide
• Synonyms: (Cyclopropylmethyl)triphenylphosphonium bromide; (环丙基甲基)三苯基溴化膦

Database IDs

• CAS Number: 14799-82-7
• EC Number: 238-862-7
• MDL Number: MFCD00051878
• Beilstein Number: 4068302

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.408368
• LogD (pH = 7.4): 5.408368
• Log P: 5.408368
• Molar Refractivity: 99.1632 cm^3
• Polarizability: 39.228348 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 178-182°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: 98+%

REFERENCES

• Wittig reaction leads to cyclopropylalkenes with no evidence for ring-opening: J. Org. Chem., 33, 3082 (1968).