tetrapropylazanium perchlorate

• ChemBase ID: 156819
• Molecular Formular: C12H28ClNO4
• Molecular Mass: 285.80802
• Monoisotopic Mass: 285.17068606
• SMILES: CCC[N+](CCC)(CCC)CCC.[O-][Cl](=O)(=O)=O
• Canonical SMILES: [O-][Cl](=O)(=O)=O.CCC[N+](CCC)(CCC)CCC
• InChI: InChI=1S/C12H28N.ClHO4/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3,4)5/h5-12H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
• InChIKey: LJDKWXHIGFOFDB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrapropylazanium perchlorate
• IUPAC Traditional name: tetrapropylammonium perchlorate
• Synonyms: N,N,N-Tripropyl-1-propanaminium perchlorate; Tetrapropylammonium perchlorate; 四丙基高氯酸铵

Database IDs

• CAS Number: 15780-02-6
• EC Number: 239-874-5
• MDL Number: MFCD00041979
• Beilstein Number: 3639544
• PubChem SID: 162250956; 24889058
• PubChem CID: 85095

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.45484576
• LogD (pH = 7.4): -0.45484576
• Log P: -0.45484576
• Molar Refractivity: 72.9921 cm^3
• Polarizability: 24.346558 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 238-242 °C

Safety Information

• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 1479
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 2
• Risk Statements: 8-36/37/38
• Safety Statements: 17-26-36
• GHS Pictograms: GHS03; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H315-H319-H335
• GHS Precautionary statements: P220-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1479 5.1/PG 2

Product Information

• Purity: ≥98.0% (T)
• Linear Formula: (CH3CH2CH2)4N(ClO4)

DETAILS

Sigma Aldrich - 88122

Packaging
25, 100 g in glass bottle
Application
Investigations of:
• The liquid junction potential between different solvents1,2
• The effect of cathode potential on electrochemical polymerization mechanism and physiochemical properties of styrene-Me methacrylate copolymers3Used in electrochemical:
• Oxidation kinetics of ferrocene at platinum in MeCN containing tetraalkylammonium perchlorate using chronoamperometry or voltammetry4
• Reduction of methylbenzyl chloride on mercury5
• Impedance spectroscopy6