phosphoric acid; triethylamine

• ChemBase ID: 155839
• Molecular Formular: C6H18NO4P
• Molecular Mass: 199.185181
• Monoisotopic Mass: 199.09734469
• SMILES: CCN(CC)CC.OP(=O)(O)O
• Canonical SMILES: OP(=O)(O)O.CCN(CC)CC
• InChI: InChI=1S/C6H15N.H3O4P/c1-4-7(5-2)6-3;1-5(2,3)4/h4-6H2,1-3H3;(H3,1,2,3,4)
• InChIKey: UNXNGGMLCSMSLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phosphoric acid; triethylamine
• IUPAC Traditional name: phosphoric acid; triethylamine
• Synonyms: TEAP; Buffer solution 1 M pH 3.0; Triethylammonium phosphate solution; Triethylamine:Phosphoric acid 1:1 solution; Triethylammonium phosphate solution; Phosphoric acid - triethylamine 1:1 solution; 1M、pH 3.0 的缓冲溶液; 磷酸三乙胺 溶液; 三乙胺:磷酸 1:1 溶液; 磷酸三乙铵 溶液; 磷酸-三乙胺 1:1 溶液

Database IDs

• CAS Number: 35365-94-7
• MDL Number: MFCD00067475
• PubChem SID: 24845473; 24889356; 162249977; 24889357
• PubChem CID: 61946

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.2147028
• LogD (pH = 7.4): -1.4690653
• Log P: 1.2605933
• Molar Refractivity: 34.2339 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.05 g/mL at 20 °C; 1.09 g/mL at 20 °C
• Refractive Index: n20/D 1.360
• Absorption Wavelength: λ: 210 nm Amax: ≤0.1; λ: 240 nm Amax: ≤0.04; λ: 260 nm Amax: ≤0.02; λ: 260 nm Amax: 0.04; λ: 280 nm Amax: 0.03; λ: 300 nm Amax: ≤0.01; λ: 500 nm Amax: ≤0.01
• pH: 2.9-3.1 (25 °C)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1; 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Concentration: ~1.0 M in H2O; 1 M in H2O; in H2O
• Grade: for HPLC
• Suitability: corresponds to standard for filter test
• Impurities: Insoluble matter, passes filter test
• Cation Traces: Al: ≤1 mg/kg; As: ≤0.1 mg/kg; Ba: ≤1 mg/kg; Bi: ≤1 mg/kg; Ca: ≤5 mg/kg; Cd: ≤1 mg/kg; Co: ≤1 mg/kg; Cr: ≤1 mg/kg; Cu: ≤1 mg/kg; Fe: ≤1 mg/kg; K: ≤20 mg/kg; Li: ≤1 mg/kg; Mg: ≤1 mg/kg; Mn: ≤1 mg/kg; Mo: ≤1 mg/kg; Na: ≤20 mg/kg; Ni: ≤1 mg/kg; Pb: ≤1 mg/kg; Sr: ≤1 mg/kg; Zn: ≤1 mg/kg
• Antion Traces: chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤10 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Shelf Life: (limited shelf life, expiry date on the label)
• λ: in concentrate; neat
• Product Line: BioUltra; BioXtra
• Linear Formula: N(CH2(CH3)3 · H3PO4

DETAILS

Sigma Aldrich - 90362

Other Notes
Mobile phase (15 mM) for reversed phase HPLC of amino acids, peptides and proteins1,2

Sigma Aldrich - 90361

Other Notes
Component for the crystallization of membrane protein complexes1,2