tetrabutylazanium nitrate

• ChemBase ID: 77900
• Molecular Formular: C16H36N2O3
• Molecular Mass: 304.46864
• Monoisotopic Mass: 304.27259302
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.[N+](=O)([O-])[O-]
• Canonical SMILES: [O-][N+](=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC
• InChI: InChI=1S/C16H36N.NO3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3)4/h5-16H2,1-4H3;/q+1;-1
• InChIKey: QHOKENWFMZXSEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabutylazanium nitrate; nitrooxidane; tetrabutylazanium
• IUPAC Traditional name: tetrabutylammonium nitrate; tetrabutylammonium ion nitronate
• Synonyms: Tetrabutylammonium nitrate; Tetra-n-butylammonium nitrate; Tetra(but-1-yl)ammonium nitrate; 四丁基硝酸铵; 四正丁基硝酸铵

Database IDs

• CAS Number: 1941-27-1
• EC Number: 217-726-0
• MDL Number: MFCD00043202
• Beilstein Number: 3921016
• PubChem SID: 24888825; 24862056; 162042743
• PubChem CID: 16027

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3234289
• LogD (pH = 7.4): 1.3234289
• Log P: 1.3234289
• Molar Refractivity: 91.3961 cm^3
• Polarizability: 31.734425 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: acetonitrile: soluble0.1 g/mL, clear, colorless
• Apperance: Powder
• Melting Point: 116-118 °C(lit.); 116-118°C; 116-119°C; 117-120 °C

Safety Information

• Storage Warning: Hygroscopic; Oxidising Agent/Irritant/Hygroscopic/Store under Argon
• RTECS: BS5475000
• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 1479; UN1479
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 2; III
• Risk Statements: 8-36/37/38
• Safety Statements: 17-26-37/39; 26
• 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: dust mask type N95 (US), 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; 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: ≥99.0% (NT); 97%; 98%
• Grade: electrochemical grade; puriss.
• Impurities: <3% tetrabutylammonium chloride
• Linear Formula: (CH3CH2CH2CH2)4N(NO3)

DETAILS

Sigma Aldrich - 359173

Packaging
2, 10 g in glass bottle