[(tert-butylimino)bis(diethylamino)tantalio]diethylamine

• ChemBase ID: 140214
• Molecular Formular: C16H39N4Ta
• Molecular Mass: 468.45556
• Monoisotopic Mass: 468.26546727
• SMILES: CCN(CC)[Ta](=NC(C)(C)C)(N(CC)CC)N(CC)CC
• Canonical SMILES: CCN([Ta](=NC(C)(C)C)(N(CC)CC)N(CC)CC)CC
• InChI: InChI=1S/C4H9N.3C4H10N.Ta/c1-4(2,3)5;3*1-3-5-4-2;/h1-3H3;3*3-4H2,1-2H3;/q;3*-1;+3
• InChIKey: YYKBKTFUORICGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(tert-butylimino)bis(diethylamino)tantalio]diethylamine
• IUPAC Traditional name: [(tert-butylimino)bis(diethylamino)tantalio]diethylamine
• Synonyms: TBTDET; Tris(diethylamino)(tert-butylimino)tantalum(V); Tris(diethylamido)(tert-butylimido)tantalum(V); 三(二乙基氨基)叔丁酰胺钽(V); 三(二乙基氨基)叔丁酰胺钽

Database IDs

• CAS Number: 169896-41-7
• MDL Number: MFCD02684506
• PubChem SID: 24874200; 24885014; 162234458
• PubChem CID: 4100858

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.25267282
• LogD (pH = 7.4): -0.25256604
• Log P: 2.32
• Molar Refractivity: 92.3741 cm^3
• Polarizability: 42.591637 Å^3
• Polar Surface Area: 22.08 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Flash Point: 114.8 °F; 46 °C
• Density: 1.252 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3398
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 10-14/15-34
• Safety Statements: 26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H261-H314
• GHS Precautionary statements: P231 + P232-P280-P305 + P351 + P338-P310-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, 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% trace metals basis; 99%
• Quality Level: HITECH
• Linear Formula: (CH3)3CNTa(N(C2H5)2)3

DETAILS

Sigma Aldrich - 668990

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
General description
Atomic number of base material: 73 Tantalum
Packaging
10 g in ss cylinder
Protocols & Applications
Precursors Packaged for Depositions Systems

Sigma Aldrich - 521280

General description
Atomic number of base material: 73 Tantalum
Packaging
5 mL in ampule