tetramethylazanium formate

• ChemBase ID: 110202
• Molecular Formular: C5H13NO2
• Molecular Mass: 119.16222
• Monoisotopic Mass: 119.09462866
• SMILES: [O-]C=O.C[N+](C)(C)C
• Canonical SMILES: C[N+](C)(C)C.[O-]C=O
• InChI: InChI=1S/C4H12N.CH2O2/c1-5(2,3)4;2-1-3/h1-4H3;1H,(H,2,3)/q+1;/p-1
• InChIKey: WWIYWFVQZQOECA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetramethylazanium formate
• IUPAC Traditional name: tetramethylammonium formate; formira; tetramethylammonium ion
• Synonyms: Formic acid tetramethylammonium salt solution; Tetramethylammonium formate solution; Tetramethylammonium formate; TETRAMETHYLAMMONIUM FORMATE; 甲酸 四甲铵盐 溶液; 四甲基甲酸铵 溶液; 四甲基甲酸铵

Database IDs

• CAS Number: 59138-84-0
• EC Number: 261-622-8
• MDL Number: MFCD00054402
• Beilstein Number: 3916177
• PubChem SID: 24888938; 162089328; 24867448
• PubChem CID: 42961

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.9721673
• LogD (pH = 7.4): -3.9721673
• Log P: -3.9721673
• Molar Refractivity: 35.9017 cm^3
• Polarizability: 9.572162 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid; Liquid
• Boiling Point: 102 °C
• Density: 1.02 g/mL at 25 °C
• Refractive Index: n20/D 1.364

Safety Information

• RTECS: BS7960000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: -; nwg
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-36
• TSCA Listed: 是
• 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

Product Information

• Purity: ≥99.99% trace metals basis; 30% w/w aq. soln.
• Concentration: ~25% in H2O; 30 wt. % in H2O
• Grade: puriss.
• Linear Formula: (CH3)4N(HCOO)

DETAILS

Sigma Aldrich - 438375

Packaging
100 mL in poly bottle