Basic information
- Name:
1-Butanaminium,N,N,N-tributyl-, tetrafluoroborate(1-) (1:1)
- Superlist Name:
- Tetrabutylammonium tetrafluoroborate
- CAS No.:
429-42-5
- Molecular Structure:
- Formula:
- C16H36BF4N
- Molecular Weight:
- 329.2684
- Synonyms:
- Ammonium, tetrabutyl-,tetrafluoroborate(1-) (8CI);Tetrabutylammonium tetrafluoroborate (7CI);Borate(1-), tetrafluoro-, N,N,N-tributyl-1-butanaminium;Borate(1-),tetrafluoro-, tetrabutylammonium (8CI);Tertabutylammonium tetraphenylborate;Tetra-n-butylammonium tetrafluoroborate;Tetrabutylammonium fluoborate;Tetrabutylammonium tetrafluoroborane;Tetrabutylammonium tetrafluoroborate(1-);1-Butanaminium,N,N,N-tributyl-, tetrafluoroborate(1-) (9CI);
- EINECS:
- 207-058-8
- Melting Point:
- 155-161 °C
- Solubility:
- slightly soluble in Water ,methanol: 0.1 g/mL, clear, colorless
- Appearance:
- white crystalline powder
- Hazard Symbols:
Xi,
T- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36-37/39 Details
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Specification
The 1-Butanaminium,N,N,N-tributyl-, tetrafluoroborate(1-) (1:1), with the CAS registry number 429-42-5, is also known as N,N,N-Tributylbutan-1-aminium tetrafluoroborate. It belongs to the product categories of Ammonium Polyhalides (Quaternary); B (Classes of Boron Compounds); Quaternary Ammonium Compounds; Tetrafluoroborates; Ammonium Salts Analytical Reagents; Electrochemistry; Greener Alternatives: Catalysis; Phase Transfer Catalysts; Supporting Electrolytes for Electrochemistry; Ammonium Salts. Its EINECS registry number is 207-058-8. This chemical's molecular formula is C16H36BF4N and molecular weight is 329.27. What's more, its IUPAC name is called Tetrabutylazanium tetrafluoroborate. It is white fine crystalline powder.
Physical properties about 1-Butanaminium,N,N,N-tributyl-, tetrafluoroborate(1-) (1:1) are: (1)ACD/LogP: -1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.72; (4)ACD/LogD (pH 7.4): -1.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.78; (8)ACD/KOC (pH 7.4): 2.78; (9)#H bond acceptors: 1 ; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 0 Å2; (13)Melting Point: 155-161 °C.
Uses of 1-Butanaminium,N,N,N-tributyl-, tetrafluoroborate(1-) (1:1): (1) it is used as phase transfer catalyst; (2) it is used to produce other chemicals. For example, it is used to produce Tetrabutylammonium tricyanomethanide. The reaction occurs with reagent Methano. The yield is 55 %.
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When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It at low levels can cause damage to health. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: F[B-](F)(F)F.CCCC[N+](CCCC)(CCCC)CCCC
(2) InChI: InChI=1/C16H36N.BF4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)5/h5-16H2,1-4H3;/q+1;-1
(3) InChIKey: NNZZSJSQYOFZAM-UHFFFAOYAS
