tetraethylazanium hydrate fluoride

• ChemBase ID: 148113
• Molecular Formular: C8H22FNO
• Molecular Mass: 167.2647832
• Monoisotopic Mass: 167.16854255
• SMILES: CC[N+](CC)(CC)CC.O.[F-]
• Canonical SMILES: CC[N+](CC)(CC)CC.O.[F-]
• InChI: InChI=1S/C8H20N.FH.H2O/c1-5-9(6-2,7-3)8-4;;/h5-8H2,1-4H3;1H;1H2/q+1;;/p-1
• InChIKey: YEKUWOWHPVKTCQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraethylazanium hydrate fluoride
• IUPAC Traditional name: tetraethylammonium hydrate fluoride
• Synonyms: Tetraethylammonium fluoride hydrate; Tetraethylammonium fluoride hydrate; 四乙基氟化铵 水合物

Database IDs

• CAS Number: 98330-04-2
• EC Number: 211-559-7
• MDL Number: MFCD00149990
• PubChem SID: 162242290; 24854124
• PubChem CID: 16211652

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

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 22-26-28-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%; 98%
• Linear Formula: (C2H5)4NF·xH2O

DETAILS

Sigma Aldrich - 235911

Packaging
5, 25 g in glass bottle