diethyl[tris(diethylamino)hafnio]amine

• ChemBase ID: 78250
• Molecular Formular: C16H40HfN4
• Molecular Mass: 467.0056
• Monoisotopic Mass: 468.2718473
• SMILES: [Hf](N(CC)CC)(N(CC)CC)(N(CC)CC)N(CC)CC
• Canonical SMILES: CCN([Hf](N(CC)CC)(N(CC)CC)N(CC)CC)CC
• InChI: InChI=1S/4C4H10N.Hf/c4*1-3-5-4-2;/h4*3-4H2,1-2H3;/q4*-1;+4
• InChIKey: VBCSQFQVDXIOJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl[tris(diethylamino)hafnio]amine
• IUPAC Traditional name: diethyl[tris(diethylamino)hafnio]amine
• Synonyms: Tetrakis(diethylamino)hafnium(IV); Tetrakis(diethylamido)hafnium(IV); Tetrakis(diethylamino)hafnium 99.999%; 四(二乙基氨基)铪(IV); 四(二乙基胺基)铪(IV)

Database IDs

• CAS Number: 19824-55-6
• MDL Number: MFCD00799095
• PubChem SID: 162043036; 24869039
• PubChem CID: 140612

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.4659846
• LogD (pH = 7.4): -1.7981569
• Log P: 1.8928
• Molar Refractivity: 93.5624 cm^3
• Polarizability: 43.16742 Å^3
• Polar Surface Area: 12.96 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 130 °C/0.01 mmHg(lit.); 130°C/0.01mm
• Flash Point: 10 °C; 10°C; 50 °F
• Density: 1.249; 1.249 g/mL at 25 °C(lit.)

Safety Information

• Storage Warning: Highly Flammable/Irritant/Store under Argon
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3398
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 11-14-36/37/38
• Safety Statements: 16-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H261-H315-H319-H335
• GHS Precautionary statements: P210-P231 + P232-P261-P305 + P351 + P338-P422
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3398 4.3/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 99.99%
• Linear Formula: [(CH2CH3)2N]4Hf

DETAILS

Sigma Aldrich - 455202

Analysis Note
Purity excludes ~2000ppm zirconium.
General description
Atomic number of base material: 72 Hafnium
Packaging
10 g in ampule