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Tetrabutylammonium fluoride trihydrate

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Name

Tetrabutylammonium fluoride trihydrate

EINECS 207-057-2
CAS No. 87749-50-6 Density N/A
PSA 27.69000 LogP 1.81470
Solubility soluble in water Melting Point 62-63 °C(lit.)
Formula C16H36FN.3(H2O) Boiling Point N/A
Molecular Weight 315.51 Flash Point -17℃
Transport Information UN 1759 8/PG 1 Appearance white crystals or crystalline powder
Safety 26-36/37/39-45-26 Risk Codes 34-36/37/38
Molecular Structure Molecular Structure of 87749-50-6 (Tetrabutylammonium fluoride trihydrate) Hazard Symbols CorrosiveC, IrritantXi
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;

 

Tetrabutylammonium fluoride trihydrate Specification

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

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