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| CAS No.: | 4419-47-0 |
|---|---|
| Name: | TETRAKIS(DIETHYLAMINO)TITANIUM |
| Article Data: | 15 |
| Molecular Structure: | |
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|
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| Formula: | C16H40N4Ti |
| Molecular Weight: | 336.4 |
| Synonyms: | Diethylamine,titanium(4+) salt (8CI);Ethanamine, N-ethyl-, titanium(4+) salt (9CI);Titanium, tetrakis(diethylamino)- (6CI,7CI);TDEAT;Tetrakis(diethylamido)titanium;Tetrakis(diethylamido)titanium(IV);Tetrakis(diethylamino)titanium;Titanium tetrakis(diethylamide);Titaniumtetrakis(diethylamine);Titanium(4+) diethylamide;Titanium(IV) diethylamide; |
| Density: | 0.931g/cm3 |
| Melting Point: | 4 °C |
| Boiling Point: | 57.3 °C at 760 mmHg |
| Flash Point: | 10 oC |
| Appearance: | Clear dark red liquid |
| Hazard Symbols: |
 F Xi
|
| Risk Codes: | 11-36/37/38 |
| Safety: | 16-26-37/39 |
| Transport Information: | UN 3398 |
| PSA: | 12.96000 |
| LogP: | 3.17000 |
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Specification
The Tetrakis(diethylamino)titanium with the cas number 4419-47-0 is also called Ethanamine, N-ethyl-,titanium(4+) salt (4:1). The IUPAC name is diethylazanide; titanium(4+). Its molecular formula is C16H40N4Ti. This chemical is Clear dark red liquid.
The properties of the chemical are: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.46; (4)ACD/LogD (pH 7.4): -2.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.03 Å2; (13)Enthalpy of Vaporization: 29.06 kJ/mol; (14)Vapour Pressure: 218 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is highly flammable. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally you should keep this chemical away from sources of ignition.
You can still convert the following datas into molecular structure:
(1)SMILES: [Ti+4].[N-](CC)CC.[N-](CC)CC.[N-](CC)CC.[N-](CC)CC
(2)InChI: InChI=1/4C4H10N.Ti/c4*1-3-5-4-2;/h4*3-4H2,1-2H3;/q4*-1;+4
(3)InChIKey: VJDVOZLYDLHLSM-UHFFFAOYAB