pentakis(formic acid); bis(triethylamine)

• ChemBase ID: 158481
• Molecular Formular: C17H40N2O10
• Molecular Mass: 432.5069
• Monoisotopic Mass: 432.26829549
• SMILES: CCN(CC)CC.CCN(CC)CC.C(=O)O.C(=O)O.C(=O)O.C(=O)O.C(=O)O
• Canonical SMILES: CCN(CC)CC.CCN(CC)CC.OC=O.OC=O.OC=O.OC=O.OC=O
• InChI: InChI=1S/2C6H15N.5CH2O2/c2*1-4-7(5-2)6-3;5*2-1-3/h2*4-6H2,1-3H3;5*1H,(H,2,3)
• InChIKey: NLOIHFJXBNFDSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentakis(formic acid); bis(triethylamine)
• IUPAC Traditional name: pentakis(formic acid); bis(triethylamine)
• Synonyms: Triethylammonium formate 2:5; Formic acid triethylamine complex 5:2; 三乙基铵甲酸盐 2:5; 甲酸-三乙胺 (5:2) 加成的化合物

Database IDs

• CAS Number: 15077-13-1
• MDL Number: MFCD00040600
• Beilstein Number: 4150472
• PubChem SID: 24845934; 162252617
• PubChem CID: 16211099

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: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: n20/D 1.428

Safety Information

• European Hazard Symbols: Corrosive (C)
• German water hazard class: 3
• Risk Statements: 34
• Safety Statements: 23-26-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥99.0% (NT)
• Linear Formula: 5HCOOH · 2N(CH2CH3)3

DETAILS

Sigma Aldrich - 06561

Other Notes
Activated form of formic acid used for reduction reactions1