tetraethylphosphanium bromide

• ChemBase ID: 134465
• Molecular Formular: C8H20BrP
• Molecular Mass: 227.122161
• Monoisotopic Mass: 226.04859927
• SMILES: CC[P+](CC)(CC)CC.[Br-]
• Canonical SMILES: CC[P+](CC)(CC)CC.[Br-]
• InChI: InChI=1S/C8H20P.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
• InChIKey: LIXPXSXEKKHIRR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraethylphosphanium bromide
• IUPAC Traditional name: tetraethylphosphanium bromide
• Synonyms: Tetraethylphosphonium bromide; 溴化四乙基磷鎓

Database IDs

• CAS Number: 4317-07-1
• MDL Number: MFCD00054230
• Beilstein Number: 3912956
• PubChem SID: 24860163; 24888754; 162228741
• PubChem CID: 9859378

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7038152
• LogD (pH = 7.4): 1.7038152
• Log P: 1.7038152
• Molar Refractivity: 46.5876 cm^3
• Polarizability: 18.574238 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 333-335 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0%; 97%
• Linear Formula: (CH3CH2)4P(Br)