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| CAS No.: | 59020-10-9 |
|---|---|
| Name: | 3-(1,1,1-TRIBUTYLSTANNYL)PYRIDINE |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C17H31NSn |
| Molecular Weight: | 368.15 |
| Synonyms: | (3-Pyridinyl)tributyltin;(3-Pyridyl)tributylstannane;3-(Tri-n-butylstannyl)pyridine;3-Pyridinyltributylstannane;Tributyl-3-pyridylstannane;3-Pyridyltributyltin;Tributyl(3-pyridinyl)stannane; |
| Density: | 1.15 g/cm3 |
| Boiling Point: | 377.8 °C at 760 mmHg |
| Flash Point: | 182.3 °C |
| Hazard Symbols: |
 T, Xi, N
|
| Risk Codes: | 20/21/22-36/37/38-50/53-48/23/25-36/38-25-21 |
| Safety: | 26-36/37/39-61-60-45-35 |
| Transport Information: | UN 2788 6.1/PG 3 |
| PSA: | 12.89000 |
| LogP: | 5.13770 |
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Specification
The Pyridine,3-(tributylstannyl)- with CAS registry number of 59020-10-9 is also known as 3-(Tributylstannyl)pyridine. The IUPAC name is Dibutyl(3-pyridin-2-ylbutyl)tin. It belongs to product categories of Organostannes; Pyridine; Tributylstanny. In addition, the formula is C17H31NSn and the molecular weight is 368.14. This chemical at low levels causes damage to health. It may cause inflammation to the skin or other mucous membranes and also may present an immediate or delayed danger to one or more components of the environment.
Physical properties about Pyridine,3-(tributylstannyl)- are: (1)ACD/LogP: 8.53; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.35; (4)ACD/LogD (pH 7.4): 8.53; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 686631.63; (8)ACD/KOC (pH 7.4): 1032124.19; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Flash Point: 182.3 °C; (13)Enthalpy of Vaporization: 60.1 kJ/mol; (14)Boiling Point: 377.8 °C at 760 mmHg; (15)Vapour Pressure: 1.43E-05 mmHg at 25 °C.
Uses of Pyridine,3-(tributylstannyl)-: it is used to produce 2-(2-nitro-phenyl)-pyridine by reaction with 1-iodo-2-nitro-benzene. The reaction occurs with catalyst PdCl2(PPh3)2 and solvent tetrahydrofuran at the temperature of 110 °C for 24 hours. The yield is about 75%.
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When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. It is also very toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment. During using it, wear suitable protective clothing, gloves and eye/face protection. Avoid release to the environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If accident happens or you feel unwell seek medical advice immediately. After using it, this material and its container must be disposed of as hazardous waste in a safe way.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCCC[Sn](CCCC)CCC(C)C1=CC=CC=N1
2. InChI: InChI=1S/C9H12N.2C4H9.Sn/c1-3-8(2)9-6-4-5-7-10-9;2*1-3-4-2;/h4-8H,1,3H2,2H3;2*1,3-4H2,2H3;
3. InChIKey: PWUPFHBRQAEBKK-UHFFFAOYSA-N