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| CAS No.: | 682-00-8 |
|---|---|
| Name: | TRIBUTYLTIN ETHOXIDE, 97% |
| Molecular Structure: | |
|
|
|
| Formula: | C14H32OSn |
| Molecular Weight: | 335.117 |
| Synonyms: | Tributyltin ethoxide, 97%; |
| Density: | 1.098 g/mL at 25 °C(lit.) |
| Boiling Point: | 302.9 °C at 760 mmHg |
| Flash Point: | 137 °C |
| Hazard Symbols: |
 T; N
|
| Risk Codes: | 21-25-36/38-48/23/25-50/53 |
| Safety: | 35-36/37/39-45-60-61 |
| Transport Information: | UN 1992 |
| PSA: | 23.06000 |
| LogP: | 5.31830 |
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Specification
The Stannane,tributylethoxy-, with the CAS registry number of 682-00-8, is also known as Tributyltin ethoxide, 97%. It belongs to the product categories of Organometallic Reagents; Organotin; Organotins. This chemical's molecular formula is C14H32OSn and molecular weight is 335.113280. What's more, its IUPAC name is Tributyl(ethoxy)stannane.
Physical properties about the Stannane,tributylethoxy- are: (1)ACD/LogP: 9.25; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.25; (4)ACD/LogD (pH 7.4): 9.25; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 11; (8)Polar Surface Area: Å2; (9)Flash Point: 137 °C; (10)Enthalpy of Vaporization: 52.15 kJ/mol; (11)Boiling Point: 302.9 °C at 760 mmHg; (12)Vapour Pressure: 0.00172 mmHg at 25 °C.
Uses: it is used to produce other chemicals. For example, it is used to produce N-tert-Butyl-benzimidic acid ethyl ester. This reaction needs solvent Benzene. The reaction time is 20 h with reaction temperature of 120 °C. The yield is about 48 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes and skin. It is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In addition, it is harmful in contact with skin. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). Besides, during using it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: CCCC[Sn](CCCC)(CCCC)OCC
(2) InChI: InChI=1/3C4H9.C2H5O.Sn/c3*1-3-4-2;1-2-3;/h3*1,3-4H2,2H3;2H2,1H3;/q;;;-1;+1/rC14H32OSn/c1-5-9-12-16(15-8-4,13-10-6-2)14-11-7-3/h5-14H2,1-4H3
(3) InChIKey: SDTAGBUVRXOKAK-KGQWRVLMAU