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| CAS No.: | 7182-86-7 |
|---|---|
| Name: | Tetrabutylammonium 4-toluenesulfonate |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C16H36N.C7H7O3S |
| Molecular Weight: | 413.665 |
| Synonyms: | Tetrabutylammonium, salt with 4-methylbenzenesulphonic acid (1:1); |
| EINECS: | 230-548-8 |
| Melting Point: | 70-72 °C(lit.) |
| Hazard Symbols: |
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| Risk Codes: | 36/37/38 |
| Safety: | S26;S36 |
| PSA: | 65.58000 |
| LogP: | 6.98350 |
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- Total:38 Page 1 of 1 1
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Specification
The Tetrabutylammonium 4-toluenesulfonate with its cas register number is 7182-86-7. It also can be called as and the IUPAC Name about this chemical is 4-methylbenzenesulfonate; tetrabutylazanium.
Physical properties about Tetrabutylammonium 4-toluenesulfonate are: (1)H-Bond Acceptor: 3; (2)Rotatable Bond Count: 12; (3)Exact Mass: 413.296365; (4)MonoIsotopic Mass: 413.296365; (5)Topological Polar Surface Area: 65.6; (6)Heavy Atom Count: 28; (7)Complexity: 309; (8)Covalently-Bonded Unit Count: 2.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]
(2)InChI: InChI=1S/C16H36N.C7H8O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-6-2-4-7(5-3-6)11(8,9)10/h5-16H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
(3)InChIKey: REAVCZWUMGIGSW-UHFFFAOYSA-M