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| CAS No.: | 145214-05-7 |
|---|---|
| Name: | 2-(TRI-N-BUTYLSTANNYL)OXAZOLE |
| Article Data: | 10 |
| Molecular Structure: | |
|
|
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| Formula: | C15H29NOSn |
| Molecular Weight: | 358.111 |
| Synonyms: | 2-(Tributylstannanyl)-1,3-oxazole;2-(Tributylstannanyl)oxazole;2-(Tributylstannyl)-1,3-oxazole;2-(Tributylstannyl)oxazole; |
| Density: | 1.71 g/cm3 |
| Melting Point: | 227-228℃ |
| Boiling Point: | 340.605 °C at 760 mmHg |
| Flash Point: | 159.792 °C |
| Solubility: | Insoluble in water. |
| 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 2788 |
| PSA: | 26.03000 |
| LogP: | 4.73070 |
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Specification
The Oxazole,2-(tributylstannyl)- with CAS registry number of 145214-05-7 is also known as 2-(Tri-n-butylstannyl)oxazole. The IUPAC name is Tributyl(1,3-oxazol-2-yl)stannane. It belongs to product categories of Organometallic Reagents; Organotins; Stannanes. In addition, the formula is C15H29NOSn and the molecular weight is 358.11. This chemical is a colorless liquid, which is stable at normal temperature and pressure and should be stored in sealed containers in cool and dry place.
Physical properties about Oxazole,2-(tributylstannyl)- are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 9; (4)ACD/LogD (pH 7.4): 9; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1144191; (8)ACD/KOC (pH 7.4): 1144214; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 26.03Å2; (13)Flash Point: 159.792 °C; (14)Enthalpy of Vaporization: 56.105 kJ/mol; (15)Boiling Point: 340.605 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes and skin. It has danger of serious damage to health by prolonged exposure through inhalation and if swallowed. What's more, this chemical is very toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. During using it, wear suitable protective clothing, gloves and eye/face protection. This material and its container must be disposed of as hazardous waste avoiding release to the environment. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. SMILES: CCCC[Sn](CCCC)(CCCC)c1ncco1
2. InChI: InChI=1/3C4H9.C3H2NO.Sn/c3*1-3-4-2;1-2-5-3-4-1;/h3*1,3-4H2,2H3;1-2H;/rC15H29NOSn/c1-4-7-12-18(13-8-5-2,14-9-6-3)15-16-10-11-17-15/h10-11H,4-9,12-14H2,1-3H3
3. InChIKey: YOWGRWHKDCHINP-FCAHPDOGAT
4. Std. InChI: InChI=1S/3C4H9.C3H2NO.Sn/c3*1-3-4-2;1-2-5-3-4-1;/h3*1,3-4H2,2H3;1-2H;
5. Std. InChIKey: YOWGRWHKDCHINP-UHFFFAOYSA-N