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CAS No.: | 87749-50-6 |
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Name: | Tetrabutylammonium fluoride trihydrate |
Molecular Structure: | |
Formula: | C16H36FN.3(H2O) |
Molecular Weight: | 315.51 |
Synonyms: | 1-Butanaminium,N,N,N-tributyl-, fluoride, trihydrate (9CI);Tetrabutylammonium fluoride trihydrate;1-Butanaminium, N,N,N-tributyl-, fluoride, trihydrate;Tetra-N-butylammonium fluoride, trihydrate; |
EINECS: | 207-057-2 |
Melting Point: | 62-63 °C(lit.) |
Flash Point: | -17℃ |
Solubility: | soluble in water |
Appearance: | white crystals or crystalline powder |
Hazard Symbols: | C, Xi |
Risk Codes: | 34-36/37/38 |
Safety: | 26-36/37/39-45-26 |
Transport Information: | UN 1759 8/PG 1 |
PSA: | 27.69000 |
LogP: | 1.81470 |
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The IUPAC name of 1-Butanaminium,N,N,N-tributyl-, fluoride, hydrate (1:1:3) is tetrabutylazanium fluoride trihydrate. With the CAS registry number 87749-50-6, it is also named as Tetra-N-butylammonium fluoride, trihydrate. Besides, it is white crystals or crystalline powder, which should be stored in closed, cool and dry place. This chemical is splitting blocking group, that is used as catalyst in silylanizingsilylation and elimination reaction. It is also used to produce seleno-aldehydes and sulfo-aldehydes. In addition, its molecular formula is C16H36FN.3(H2O) and molecular weight is 315.51.
The other characteristics of 1-Butanaminium,N,N,N-tributyl-, fluoride, hydrate (1:1:3) can be summarized as: (1)H-Bond Donor: 3; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 12; (4)Exact Mass: 315.314872; (5)MonoIsotopic Mass: 315.314872; (6)Topological Polar Surface Area: 3; (7)Heavy Atom Count: 21; (8)Complexity: 116; (9)EINECS: 207-057-2; (10)Melting Point: 62-63 °C.
When you are using this chemical, please be cautious about it as the following: it may cause burns. It is also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
(1)SMILES: [F-].O.O.O.C([N+](CCCC)(CCCC)CCCC)CCC
(2)InChI: InChI=1/C16H36N.FH.3H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;/h5-16H2,1-4H3;1H;3*1H2/q+1;;;;/p-1
(3)InChIKey: VEPTXBCIDSFGBF-REWHXWOFAY