tetraethylazanium nitrate

• ChemBase ID: 151605
• Molecular Formular: C8H20N2O3
• Molecular Mass: 192.256
• Monoisotopic Mass: 192.14739251
• SMILES: CC[N+](CC)(CC)CC.[N+](=O)([O-])[O-]
• Canonical SMILES: [O-][N+](=O)[O-].CC[N+](CC)(CC)CC
• InChI: InChI=1S/C8H20N.NO3/c1-5-9(6-2,7-3)8-4;2-1(3)4/h5-8H2,1-4H3;/q+1;-1
• InChIKey: JTJKNAJRGLQKDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraethylazanium nitrate
• IUPAC Traditional name: tetraethylammonium nitrate
• Synonyms: Tetraethylammonium nitrate; 四乙基硝酸铵

Database IDs

• CAS Number: 1941-26-0
• EC Number: 217-725-5
• MDL Number: MFCD00041978
• Beilstein Number: 3918466
• PubChem SID: 24888413; 162245756
• PubChem CID: 74744

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.5449352
• LogD (pH = 7.4): -2.5449352
• Log P: -2.5449352
• Molar Refractivity: 54.8961 cm^3
• Polarizability: 16.958946 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Melting Point: ~280 °C (dec.)
• Boiling Point: >100°C
• Density: 1.029

Safety Information

• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 1479; UN3139
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 2; III
• Risk Statements: 8-36/37/38
• Safety Statements: 17-26-36; 17-26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H315-H319-H335
• GHS Precautionary statements: P220-P261-P305 + P351 + P338; P221-P210-P305+P351+P338-P302+P352-P405-P501A
• 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% (NT); 35% w/w aq. soln.
• Impurities: ≤1% water
• Linear Formula: (C2H5)4N(NO3)

DETAILS

Sigma Aldrich - 86645

Packaging
10 g in glass bottle