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| CAS No.: | 1113-78-6 |
|---|---|
| Name: | Tri-sec-butylborane |
| Article Data: | 18 |
| Cas Database | |
| Molecular Structure: | |
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|
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| Formula: | C12H27B |
| Molecular Weight: | 182.157 |
| Synonyms: | Borane,tri-sec-butyl- (7CI,8CI);Borine, tri-sec-butyl- (6CI);Borane,tris(1-methylpropyl)-;Tris(1-methylpropyl)borane;Tris(2-butyl)borane;Tris(sec-butyl)borane; |
| EINECS: | 214-209-1 |
| Density: | 0.729 g/cm3 |
| Boiling Point: | 212.1 °C at 760 mmHg |
| Flash Point: | 86.8 °C |
| Appearance: | Colorless to light yellow transparent liquid |
| Hazard Symbols: |
 Xn, F
|
| Risk Codes: | 11-19-22-36/37/38 |
| Safety: | 16-26-36/37/39 |
| Transport Information: | UN 1993 |
| PSA: | 0.00000 |
| LogP: | 4.88150 |
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- Total:38 Page 1 of 1 1
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Specification
The Tri-sec-butylborane, with the CAS registry number 1113-78-6, is also known as Borane,tris(1-methylpropyl)-. It belongs to the product categories of Boranes; Reduction; Synthetic Reagents. Its EINECS number is 214-209-1. This chemical's molecular formula is C12H27B and molecular weight is 182.15. What's more, its systematic name is tributan-2-ylborane. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place.
Physical properties of Tri-sec-butylborane are: (1)ACD/LogP: 4.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.33; (4)ACD/BCF (pH 5.5): 1141.6; (5)ACD/KOC (pH 5.5): 5372.39; (6)#Freely Rotating Bonds: 6; (7)Index of Refraction: 1.403; (8)Molar Refractivity: 60.94 cm3; (9)Molar Volume: 249.6 cm3; (10)Surface Tension: 21.6 dyne/cm; (11)Density: 0.729 g/cm3; (12)Flash Point: 86.8 °C; (13)Enthalpy of Vaporization: 43.01 kJ/mol; (14)Boiling Point: 212.1 °C at 760 mmHg; (15)Vapour Pressure: 0.256 mmHg at 25°C.
Uses of Tri-sec-butylborane: it can be used to produce 3-methyl-heptan-4-ol at the ambient temperature. It will need reagent Bu4NI and solvent tetrahydrofuran, dimethylformamide with the reaction time of 8 hours. It will also need electrolysis with Pt/Cu electrodes. The yield is about 61%.
When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so you should keep it away from sources of ignition - No smoking. It may form explosive peroxides. It is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: B(C(C)CC)(C(CC)C)C(C)CC
(2)InChI: InChI=1S/C12H27B/c1-7-10(4)13(11(5)8-2)12(6)9-3/h10-12H,7-9H2,1-6H3
(3)InChIKey: YUPAWYWJNZDARM-UHFFFAOYSA-N