iminomethanide; tetraethylazanium

• ChemBase ID: 77913
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: [N+](CC)(CC)(CC)CC.N#[C-]
• Canonical SMILES: CC[N+](CC)(CC)CC.N#[C-]
• InChI: InChI=1S/C8H20N.CN/c1-5-9(6-2,7-3)8-4;1-2/h5-8H2,1-4H3;/q+1;-1
• InChIKey: PCZOZSATUTWXIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: iminomethanide; tetraethylazanium
• IUPAC Traditional name: cyanide; tetraethylammonium
• Synonyms: Tetraethylammonium cyanide; Tetraethylammonium cyanide 94%; 氰化四乙基铵

Database IDs

• CAS Number: 13435-20-6
• EC Number: 236-566-2
• MDL Number: MFCD00066552
• Beilstein Number: 3570222
• PubChem SID: 24888705; 24861985; 162042754
• PubChem CID: 3014735

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

• Melting Point: 250 °C (dec.)(lit.)

Safety Information

• Storage Warning: Very Toxic/Hygroscopic
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 26/27/28-32-50/53
• Safety Statements: 7-28-29-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H330-H410
• GHS Precautionary statements: P260-P264-P273-P280-P284-P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, 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 2811 6.1/PG 2
• Supplemental Hazard Statements: Contact with acids liberates very toxic gas.

Product Information

• Purity: ≥95% (AT); 94%
• Grade: purum
• Linear Formula: (C2H5)4N(CN)

DETAILS

Sigma Aldrich - 358711

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 86613

Other Notes
Reagent for the synthesis of nitriles1,2,3