bis(phosphoric acid); triethylamine

• ChemBase ID: 158403
• Molecular Formular: C6H21NO8P2
• Molecular Mass: 297.180362
• Monoisotopic Mass: 297.0742399
• SMILES: CCN(CC)CC.OP(=O)(O)O.OP(=O)(O)O
• Canonical SMILES: OP(=O)(O)O.OP(=O)(O)O.CCN(CC)CC
• InChI: InChI=1S/C6H15N.2H3O4P/c1-4-7(5-2)6-3;2*1-5(2,3)4/h4-6H2,1-3H3;2*(H3,1,2,3,4)
• InChIKey: WEGBAFMDLFPFFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(phosphoric acid); triethylamine
• IUPAC Traditional name: bis(phosphoric acid); triethylamine
• Synonyms: Triethylamine:Phosphoric acid 1M:2M solution; Triethylammonium phosphate solution; Phosphoric acid - triethylamine 2:1 solution; 三乙胺:磷酸 1M:2M 溶液; 磷酸三乙铵 溶液; 磷酸-三乙胺 2:1 溶液

Database IDs

• CAS Number: 10138-93-9
• PubChem SID: 24845472; 162252539
• PubChem CID: 16211036

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: 1.09 g/mL at 20 °C
• Absorption Wavelength: λ: 210 nm Amax: ≤0.06; λ: 220 nm Amax: ≤0.04; λ: 240 nm Amax: ≤0.02; λ: 260 nm Amax: ≤0.02; λ: 500 nm Amax: ≤0.01

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1805
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 36/38
• Safety Statements: 26
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1805 8/PG 3

Product Information

• Concentration: in H2O
• Grade: for HPLC
• Suitability: corresponds to standard for filter test
• λ: in concentrate
• Linear Formula: 2H3PO4 · N(CH2CH3)3